3-(2-chlorophenyl)-2-({[4-cyclohexyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(2-chlorophenyl)-2-({[4-cyclohexyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one
3-(2-chlorophenyl)-2-({[4-cyclohexyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8014-2579 |
| Compound Name: | 3-(2-chlorophenyl)-2-({[4-cyclohexyl-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinazolin-4(3H)-one |
| Molecular Weight: | 596.97 |
| Molecular Formula: | C29 H24 Cl3 N5 O S |
| Smiles: | C1CCC(CC1)n1c(c2ccc(cc2[Cl])[Cl])nnc1SCC1=Nc2ccccc2C(N1c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.9038 |
| logD: | 6.8668 |
| logSw: | -6.5475 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.872 |
| InChI Key: | AYXXWGQLZYXDMM-UHFFFAOYSA-N |