N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide
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}-3,4-dimethoxybenzamide
N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | A0062317 |
| 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}-3,4-dimethoxybenzamide |
| Molecular Weight: | 528.58 |
| Molecular Formula: | C23 H21 F N6 O4 S2 |
| Smiles: | COc1ccc(cc1OC)C(NCc1nnc(n1c1ccc(cc1)F)SCC(Nc1nccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.413 |
| logD: | 2.4126 |
| logSw: | -2.9918 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.262 |
| InChI Key: | IKAYXNTVGXXQJI-UHFFFAOYSA-N |