2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D419-0077 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 423.54 |
| Molecular Formula: | C22 H25 N5 O2 S |
| Smiles: | CN1CCN(CC1)C(CSc1nnc(c2ccc(cc2)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7293 |
| logD: | 2.6425 |
| logSw: | -3.0275 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.125 |
| InChI Key: | VAXXOQPRKCBOCI-UHFFFAOYSA-N |