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}-3-methoxybenzamide
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}-3-methoxybenzamide
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}-3-methoxybenzamide
Compound characteristics
| Compound ID: | A0062299 |
| 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}-3-methoxybenzamide |
| Molecular Weight: | 540.62 |
| Molecular Formula: | C24 H24 N6 O5 S2 |
| Smiles: | COc1cccc(c1)C(NCc1nnc(n1c1cc(ccc1OC)OC)SCC(Nc1nccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9121 |
| logD: | 2.9117 |
| logSw: | -3.5934 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.419 |
| InChI Key: | XNVWDIWQUQLZPM-UHFFFAOYSA-N |