2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexyl-N-methylacetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexyl-N-methylacetamide
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexyl-N-methylacetamide
Compound characteristics
| Compound ID: | G731-0226 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexyl-N-methylacetamide |
| Molecular Weight: | 364.9 |
| Molecular Formula: | C17 H21 Cl N4 O S |
| Smiles: | CN(C1CCCCC1)C(CSc1nnc(c2ccccc2[Cl])[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2339 |
| logD: | 2.0422 |
| logSw: | -3.7465 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.42 |
| InChI Key: | ZNWCOGIFSNGZJG-UHFFFAOYSA-N |