Molecules/N-[(E)-N'-[(Z)-C-[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylcarbonimidoyl]carbamimidoyl]acetamide

N-[(E)-N'-[(Z)-C-[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylcarbonimidoyl]carbamimidoyl]acetamide

N-[N'-[C-[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylcarbonimidoyl]carbamimidoyl]acetamide

C26H22ClF3N6O3S591.00 g/molCID 171370404

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Molecular Identity

N-[(E)-N'-[(Z)-C-[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylcarbonimidoyl]carbamimidoyl]acetamide

N-[N'-[C-[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylcarbonimidoyl]carbamimidoyl]acetamide

PubChem CID: 171370404

2D Structure

Properties

C₂₆H₂₂ClF₃N₆O₃S

Molecular Formula

591.00

Molecular Weight

g/mol

590.1115

Exact Mass

5.4

XLogP

Above Lipinski threshold

138

TPSA

Good oral absorption (< 140 A²)

H-Bond Donors

H-Bond Acceptors

1100

Complexity

SMILES

Canonical SMILES

SMILES: CC(=O)NC(=NC(=NS(=O)(=O)C1=CC=C(C=C1)C(F)(F)F)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)N

Isomeric SMILES

SMILES: CC(=O)NC(=NC(=NS(=O)(=O)C1=CC=C(C=C1)C(F)(F)F)N2C[C@@H](C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)N

Synonyms(7)

INV-202N-[(E)-N'-[(Z)-C-[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylcarbonimidoyl]carbamimidoyl]acetamideorb2278176SCHEMBL23877297SCHEMBL25388980GTPL13717(S)-MRI-1891

Data from PubChem (NCBI)

This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.

Molecular Structure

N-[(E)-N'-[(Z)-C-[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylcarbonimidoyl]carbamimidoyl]acetamide

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2D molecular structure of N-[(E)-N'-[(Z)-C-[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylcarbonimidoyl]carbamimidoyl]acetamide

Source: PubChem

Drug Network

Trials and conditions connected to N-[(E)-N'-[(Z)-C-[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylcarbonimidoyl]carbamimidoyl]acetamide

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