2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | D419-0048 |
| Compound Name: | 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C23 H20 N4 O2 S |
| Smiles: | COc1cccc(c1)NC(CSc1nnc(c2ccccc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6274 |
| logD: | 4.6274 |
| logSw: | -4.448 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.406 |
| InChI Key: | WIZUOTJXQZRQDL-UHFFFAOYSA-N |