2-{[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V011-4948 |
| Compound Name: | 2-{[5-benzyl-4-(3-methylphenyl)-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 |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(Cc2ccccc2)n1c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4813 |
| logD: | 4.4813 |
| logSw: | -4.3586 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.081 |
| InChI Key: | VFFQRKCOOOODJV-UHFFFAOYSA-N |