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}-3,4,5-triethoxybenzamide
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}-3,4,5-triethoxybenzamide
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}-3,4,5-triethoxybenzamide
Compound characteristics
| Compound ID: | A0062336 |
| 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}-3,4,5-triethoxybenzamide |
| Molecular Weight: | 642.75 |
| Molecular Formula: | C29 H34 N6 O7 S2 |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(NCc1nnc(n1c1cc(ccc1OC)OC)SCC(Nc1nccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5895 |
| logD: | 3.5891 |
| logSw: | -3.9826 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.592 |
| InChI Key: | CYMCNTJIEGMNPN-UHFFFAOYSA-N |