N-{[4-(2,5-dimethoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide

Chemical Structure Depiction of
N-{[4-(2,5-dimethoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide
Available: 186 mg
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mg
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Compound characteristics

Compound ID: A0062257
Compound Name: N-{[4-(2,5-dimethoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide
Molecular Weight: 659.76
Molecular Formula: C27 H29 N7 O7 S3
Smiles: COc1ccc(c(c1)n1c(CNC(c2ccc(cc2)S(N2CCOCC2)(=O)=O)=O)nnc1SCC(Nc1nccs1)=O)OC
Stereo: ACHIRAL
logP: 1.9578
logD: 1.9574
logSw: -2.8146
Hydrogen bond acceptors count: 16
Hydrogen bond donors count: 2
Polar surface area: 138.494
InChI Key: HRRSFOABKPFDJR-UHFFFAOYSA-N
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