N-[(4-chlorophenyl)methyl]-2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[(4-chlorophenyl)methyl]-2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L849-1634 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 466.99 |
| Molecular Formula: | C23 H23 Cl N6 O S |
| Smiles: | CCn1c(c2cn(C)nc2c2ccccc2)nnc1SCC(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6231 |
| logD: | 3.6231 |
| logSw: | -4.1622 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.521 |
| InChI Key: | JSUFOTQZHDUNEX-UHFFFAOYSA-N |