N-cyclopropyl-2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-cyclopropyl-2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-cyclopropyl-2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D489-0642 |
| Compound Name: | N-cyclopropyl-2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C21 H22 N4 O S |
| Smiles: | Cc1ccc(cc1C)c1nnc(n1c1ccccc1)SCC(NC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2174 |
| logD: | 4.2174 |
| logSw: | -4.2388 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.24 |
| InChI Key: | MITMQWOQHJOIEY-UHFFFAOYSA-N |