2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | V009-3629 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 414.96 |
| Molecular Formula: | C21 H23 Cl N4 O S |
| Salt: | not_available |
| Smiles: | CCN(CC)C(CSc1nnc(c2ccccc2[Cl])n1c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.586 |
| logD: | 4.586 |
| logSw: | -4.7026 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.389 |
| InChI Key: | CQDIUNHHFOYZKS-UHFFFAOYSA-N |