2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylpropyl)acetamide
Chemical Structure Depiction of
2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylpropyl)acetamide
2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylpropyl)acetamide
Compound characteristics
| Compound ID: | D489-0651 |
| Compound Name: | 2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 394.54 |
| Molecular Formula: | C22 H26 N4 O S |
| Smiles: | CC(C)CNC(CSc1nnc(c2ccc(C)c(C)c2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8216 |
| logD: | 4.8216 |
| logSw: | -4.4828 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.456 |
| InChI Key: | NMJUCXDHBLCEDC-UHFFFAOYSA-N |