2-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide
2-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F166-0755 |
| Compound Name: | 2-[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 430.53 |
| Molecular Formula: | C24 H22 N4 O2 S |
| Smiles: | COc1ccc(cc1)NC(Cc1nnc(n1c1ccccc1)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.911 |
| logD: | 3.911 |
| logSw: | -4.1517 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.382 |
| InChI Key: | XTSZQUGQCJMKEQ-UHFFFAOYSA-N |