2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-hydroxyethyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-hydroxyethyl)acetamide
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-hydroxyethyl)acetamide
Compound characteristics
| Compound ID: | D419-0215 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-hydroxyethyl)acetamide |
| Molecular Weight: | 388.87 |
| Molecular Formula: | C18 H17 Cl N4 O2 S |
| Smiles: | C(CO)NC(CSc1nnc(c2ccc(cc2)[Cl])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5707 |
| logD: | 2.5707 |
| logSw: | -3.3145 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.953 |
| InChI Key: | IIVOXVZFGPEQAD-UHFFFAOYSA-N |