2-{[5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
2-{[5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | V010-8238 |
| Compound Name: | 2-{[5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 460.42 |
| Molecular Formula: | C23 H23 Cl2 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(CSc1nnc(C2CCCCC2)n1c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.8583 |
| logD: | 6.8583 |
| logSw: | -6.4608 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.152 |
| InChI Key: | BECGXRDMFAURLB-UHFFFAOYSA-N |