2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V012-0342 |
| Compound Name: | 2-{[4-(3,4-dichlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 451.37 |
| Molecular Formula: | C20 H20 Cl2 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2ccco2)n1c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6385 |
| logD: | 4.6385 |
| logSw: | -4.7606 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.683 |
| InChI Key: | LGCGUWKQRWXXNG-UHFFFAOYSA-N |