N-{[4-(2,5-dimethylphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[4-(2,5-dimethylphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
N-{[4-(2,5-dimethylphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | C592-3597 |
| Compound Name: | N-{[4-(2,5-dimethylphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide |
| Molecular Weight: | 484.62 |
| Molecular Formula: | C21 H20 N6 O2 S3 |
| Smiles: | Cc1ccc(C)c(c1)n1c(CNC(c2cccs2)=O)nnc1SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5276 |
| logD: | 3.5272 |
| logSw: | -3.853 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.719 |
| InChI Key: | KKKQHEWTHGXGCZ-UHFFFAOYSA-N |