N-methyl-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
N-methyl-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
N-methyl-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | L849-1700 |
| Compound Name: | N-methyl-2-{[4-methyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C22 H22 N6 O S |
| Smiles: | CN(C(CSc1nnc(c2cn(C)nc2c2ccccc2)n1C)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1742 |
| logD: | 2.1742 |
| logSw: | -2.6252 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.248 |
| InChI Key: | SNIVYBQCFBETSH-UHFFFAOYSA-N |