N-butyl-2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-butyl-2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-butyl-2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D419-0265 |
| Compound Name: | N-butyl-2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C21 H24 N4 O S |
| Smiles: | CCCCNC(CSc1nnc(c2ccccc2C)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0844 |
| logD: | 4.0844 |
| logSw: | -4.1684 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.297 |
| InChI Key: | SOQGXPCDTWXPSA-UHFFFAOYSA-N |