N-(butan-2-yl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(butan-2-yl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D489-1022 |
| Compound Name: | N-(butan-2-yl)-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C21 H24 N4 O S |
| Smiles: | CCC(C)NC(CSc1nnc(c2ccc(C)cc2)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2366 |
| logD: | 4.2366 |
| logSw: | -4.1231 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.897 |
| InChI Key: | ROMFFLXYGWSYBE-INIZCTEOSA-N |