2-{[5-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[5-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetamide
2-{[5-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetamide
Compound characteristics
| Compound ID: | 8017-3819 |
| Compound Name: | 2-{[5-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetamide |
| Molecular Weight: | 440.95 |
| Molecular Formula: | C21 H21 Cl N6 O S |
| Smiles: | Cc1ccc(c(c1)[Cl])c1nnc(n1C)SCC(NC1CCN(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.732 |
| logD: | 3.5998 |
| logSw: | -4.271 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.618 |
| InChI Key: | UHRGVXHQLKEBCP-UHFFFAOYSA-N |