2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-hydroxyethyl)-N-methylacetamide
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-hydroxyethyl)-N-methylacetamide
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-hydroxyethyl)-N-methylacetamide
Compound characteristics
| Compound ID: | D419-0202 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-hydroxyethyl)-N-methylacetamide |
| Molecular Weight: | 402.9 |
| Molecular Formula: | C19 H19 Cl N4 O2 S |
| Smiles: | CN(CCO)C(CSc1nnc(c2ccc(cc2)[Cl])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9678 |
| logD: | 2.9678 |
| logSw: | -3.5127 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.513 |
| InChI Key: | HXRHGJMNMBEETI-UHFFFAOYSA-N |