2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-propylacetamide
Chemical Structure Depiction of
2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-propylacetamide
2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-propylacetamide
Compound characteristics
| Compound ID: | D489-0565 |
| Compound Name: | 2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-propylacetamide |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C21 H24 N4 O S |
| Smiles: | CCCNC(CSc1nnc(c2ccc(C)c(C)c2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3984 |
| logD: | 4.3984 |
| logSw: | -4.1446 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.297 |
| InChI Key: | FIBIKFZALPPEGK-UHFFFAOYSA-N |