2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide
2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide
Compound characteristics
| Compound ID: | 8007-7104 |
| Compound Name: | 2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C25 H24 N4 O2 S |
| Smiles: | CC(c1ccccc1)NC(CSc1nnc(c2cccc(c2)OC)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6352 |
| logD: | 4.6352 |
| logSw: | -4.4101 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.891 |
| InChI Key: | CCUMBMVWYPLWRI-SFHVURJKSA-N |