N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
Compound characteristics
Compound ID: | A0062361 |
Compound Name: | N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide |
Molecular Weight: | 615.73 |
Molecular Formula: | C26 H26 F N7 O4 S3 |
Smiles: | C1CCN(CC1)S(c1ccc(cc1)C(NCc1nnc(n1c1ccc(cc1)F)SCC(Nc1nccs1)=O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.8861 |
logD: | 2.8857 |
logSw: | -3.5314 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 115.712 |
InChI Key: | NQWVWMGUOKIXQG-UHFFFAOYSA-N |