N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-trimethoxybenzamide
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}-3,4,5-trimethoxybenzamide
N-{[4-(4-fluorophenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | A0062090 |
| 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}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 558.61 |
| Molecular Formula: | C24 H23 F N6 O5 S2 |
| Smiles: | COc1cc(cc(c1OC)OC)C(NCc1nnc(n1c1ccc(cc1)F)SCC(Nc1nccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5696 |
| logD: | 2.5691 |
| logSw: | -3.1053 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.979 |
| InChI Key: | MKUJYZCQCZFVAJ-UHFFFAOYSA-N |