2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D489-0568 |
| Compound Name: | 2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 420.58 |
| Molecular Formula: | C24 H28 N4 O S |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2ccc(C)c(C)c2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2433 |
| logD: | 5.2433 |
| logSw: | -5.0542 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.105 |
| InChI Key: | PGYDIKOEVGRTBK-UHFFFAOYSA-N |