2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D419-0275 |
| Compound Name: | 2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 407.54 |
| Molecular Formula: | C22 H25 N5 O S |
| Smiles: | Cc1ccccc1c1nnc(n1c1ccccc1)SCC(N1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8303 |
| logD: | 2.7435 |
| logSw: | -3.3148 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.582 |
| InChI Key: | SRXMPACHJHZKSP-UHFFFAOYSA-N |