Molecules/N-[(2S,3S)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide;hydrate

N-[(2S,3S)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide;hydrate

C22H27F3N2O5S488.50 g/molCID 169492940

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Molecular Identity

N-[(2S,3S)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide;hydrate

PubChem CID: 169492940

2D Structure

Properties

C₂₂H₂₇F₃N₂O₅S

Molecular Formula

488.50

Molecular Weight

g/mol

488.1593

Exact Mass

96.1

TPSA

Good oral absorption (< 140 A²)

H-Bond Donors

H-Bond Acceptors

766

Complexity

SMILES

Canonical SMILES

SMILES: CC(C)(C(=O)N1CCC(C1CC2=C(C(=CC=C2)C3=CC(=CC(=C3)F)F)F)NS(=O)(=O)C)O.O

Isomeric SMILES

SMILES: CC(C)(C(=O)N1CC[C@@H]([C@@H]1CC2=C(C(=CC=C2)C3=CC(=CC(=C3)F)F)F)NS(=O)(=O)C)O.O

Synonyms(5)

TAK-9942861934-86-1orb2278508EX-A8302T78636

Data from PubChem (NCBI)

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Molecular Structure

N-[(2S,3S)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide;hydrate

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2D molecular structure of N-[(2S,3S)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide;hydrate

Source: PubChem

Drug Network

Trials and conditions connected to N-[(2S,3S)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide;hydrate

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