2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide
2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L849-1637 |
| Compound Name: | 2-{[4-ethyl-5-(1-methyl-3-phenyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C24 H26 N6 O2 S |
| Smiles: | CCn1c(c2cn(C)nc2c2ccccc2)nnc1SCC(NCc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1257 |
| logD: | 3.1257 |
| logSw: | -3.3527 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.065 |
| InChI Key: | KHVYMIBHUHHZHV-UHFFFAOYSA-N |