2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V006-0955 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 440.99 |
| Molecular Formula: | C23 H25 Cl N4 O S |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2ccccc2[Cl])n1c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9715 |
| logD: | 4.9714 |
| logSw: | -4.886 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.804 |
| InChI Key: | TWSDNYZLYDRYPK-UHFFFAOYSA-N |