N-(3-methylphenyl)-2-{[4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-methylphenyl)-2-{[4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-methylphenyl)-2-{[4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8014-0377 |
| Compound Name: | N-(3-methylphenyl)-2-{[4-(3-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C24 H22 N4 O S |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc(c2ccccc2)n1c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5101 |
| logD: | 5.5101 |
| logSw: | -5.4256 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.862 |
| InChI Key: | BMPUZHHUJKQWIF-UHFFFAOYSA-N |