3,4,5-trimethoxy-N-{[4-(3-methylphenyl)-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-(3-methylphenyl)-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-(3-methylphenyl)-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: | A0062088 |
| Compound Name: | 3,4,5-trimethoxy-N-{[4-(3-methylphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 554.65 |
| Molecular Formula: | C25 H26 N6 O5 S2 |
| Smiles: | Cc1cccc(c1)n1c(CNC(c2cc(c(c(c2)OC)OC)OC)=O)nnc1SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0082 |
| logD: | 3.0078 |
| logSw: | -3.3547 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.979 |
| InChI Key: | MBRQJBBUBMMLRS-UHFFFAOYSA-N |