2-methoxy-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
2-methoxy-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
2-methoxy-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: | C592-3232 |
| Compound Name: | 2-methoxy-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: | 494.59 |
| Molecular Formula: | C23 H22 N6 O3 S2 |
| Smiles: | Cc1cccc(c1)n1c(CNC(c2ccccc2OC)=O)nnc1SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3502 |
| logD: | 3.3498 |
| logSw: | -3.8492 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.632 |
| InChI Key: | ILKOGQRPDQNPKK-UHFFFAOYSA-N |