N-(butan-2-yl)-2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(butan-2-yl)-2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D489-0649 |
| Compound Name: | N-(butan-2-yl)-2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 394.54 |
| Molecular Formula: | C22 H26 N4 O S |
| Smiles: | CCC(C)NC(CSc1nnc(c2ccc(C)c(C)c2)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7973 |
| logD: | 4.7973 |
| logSw: | -4.4844 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.897 |
| InChI Key: | HGDTZQPOZCGYNZ-KRWDZBQOSA-N |