N-({5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)-4-(pyrrolidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-({5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)-4-(pyrrolidine-1-sulfonyl)benzamide
N-({5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)-4-(pyrrolidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | A0062135 |
| Compound Name: | N-({5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)-4-(pyrrolidine-1-sulfonyl)benzamide |
| Molecular Weight: | 651.71 |
| Molecular Formula: | C26 H24 F3 N7 O4 S3 |
| Smiles: | C1CCN(C1)S(c1ccc(cc1)C(NCc1nnc(n1c1cccc(c1)C(F)(F)F)SCC(Nc1nccs1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3524 |
| logD: | 3.352 |
| logSw: | -3.8308 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.078 |
| InChI Key: | ZCRBZNHKIUPRMI-UHFFFAOYSA-N |