3,4,5-triethoxy-N-{[4-(2-methoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
3,4,5-triethoxy-N-{[4-(2-methoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
3,4,5-triethoxy-N-{[4-(2-methoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | A0062333 |
| Compound Name: | 3,4,5-triethoxy-N-{[4-(2-methoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 612.73 |
| Molecular Formula: | C28 H32 N6 O6 S2 |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(NCc1nnc(n1c1ccccc1OC)SCC(Nc1nccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2761 |
| logD: | 3.2757 |
| logSw: | -3.6579 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.048 |
| InChI Key: | DUZLVPUGKTUYNW-UHFFFAOYSA-N |