Molecules/(3S)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]morpholine-3-carboxylic acid

(3S)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]morpholine-3-carboxylic acid

C21H20ClFN4O5S494.90 g/molCID 89996234

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Molecular Identity

(3S)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]morpholine-3-carboxylic acid

PubChem CID: 89996234

2D Structure

Properties

C₂₁H₂₀ClFN₄O₅S

Molecular Formula

494.90

Molecular Weight

g/mol

494.0827

Exact Mass

-0.5

XLogP

Drug-like (Lipinski: < 5)

142

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

830

Complexity

SMILES

Canonical SMILES

SMILES: COC(=O)C1=C(NC(=NC1C2=C(C=C(C=C2)F)Cl)C3=NC=CS3)CN4CCOCC4C(=O)O

Isomeric SMILES

SMILES: COC(=O)C1=C(NC(=N[C@H]1C2=C(C=C(C=C2)F)Cl)C3=NC=CS3)CN4CCOC[C@H]4C(=O)O

Synonyms(18)

RO68896781578153-27-1CHEMBL4064672(3S)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]morpholine-3-carboxylic acidorb1298407SCHEMBL15508072SCHEMBL17874012EX-A6634BDBM50237769AKOS040759640AC-36756TS-09936HY-124364CS-0086301T9054

Data from PubChem (NCBI)

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Molecular Structure

(3S)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]morpholine-3-carboxylic acid

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2D molecular structure of (3S)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]morpholine-3-carboxylic acid

Source: PubChem

Drug Network

Trials and conditions connected to (3S)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]morpholine-3-carboxylic acid

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