2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | V005-1492 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 430.96 |
| Molecular Formula: | C21 H23 Cl N4 O2 S |
| Smiles: | CCN(CC)C(CSc1nnc(c2ccccc2[Cl])n1c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9394 |
| logD: | 3.9393 |
| logSw: | -4.2744 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.718 |
| InChI Key: | QBUBGGDKUZKXFM-UHFFFAOYSA-N |