1-(4-ethylpiperazin-1-yl)-2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-ethylpiperazin-1-yl)-2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-ethylpiperazin-1-yl)-2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | D419-0269 |
| Compound Name: | 1-(4-ethylpiperazin-1-yl)-2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C23 H27 N5 O S |
| Smiles: | CCN1CCN(CC1)C(CSc1nnc(c2ccccc2C)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1751 |
| logD: | 3.0561 |
| logSw: | -3.3811 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.642 |
| InChI Key: | ZNSLYLFIEGZGSM-UHFFFAOYSA-N |