3,4,5-trimethoxy-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-trimethoxy-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-trimethoxy-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: | A0062093 |
| Compound Name: | 3,4,5-trimethoxy-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: | 570.65 |
| Molecular Formula: | C25 H26 N6 O6 S2 |
| Smiles: | COc1ccccc1n1c(CNC(c2cc(c(c(c2)OC)OC)OC)=O)nnc1SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3173 |
| logD: | 2.3169 |
| logSw: | -2.979 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.309 |
| InChI Key: | LTHCLYDTXVKTFU-UHFFFAOYSA-N |