N-[(2-chlorophenyl)methyl]-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[(2-chlorophenyl)methyl]-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | L849-1435 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-({4-methyl-5-[1-methyl-3-(4-methylphenyl)-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: | Cc1ccc(cc1)c1c(cn(C)n1)c1nnc(n1C)SCC(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7243 |
| logD: | 3.7243 |
| logSw: | -4.061 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.606 |
| InChI Key: | QCRYQJVYZZKJIA-UHFFFAOYSA-N |