N-{[4-(2-methoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{[4-(2-methoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
N-{[4-(2-methoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Compound characteristics
| Compound ID: | C592-0500 |
| Compound Name: | N-{[4-(2-methoxyphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C23 H22 N6 O3 S2 |
| Smiles: | Cc1cccc(c1)C(NCc1nnc(n1c1ccccc1OC)SCC(Nc1nccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9076 |
| logD: | 2.9072 |
| logSw: | -3.4602 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.331 |
| InChI Key: | HEOFQWAAAVPEDM-UHFFFAOYSA-N |