2-{[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(2-methylphenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(2-methylphenyl)quinazolin-4(3H)-one
2-{[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(2-methylphenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8011-8577 |
| Compound Name: | 2-{[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(2-methylphenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 507.66 |
| Molecular Formula: | C30 H29 N5 O S |
| Smiles: | Cc1ccccc1N1C(CSc2nnc(c3ccccc3)n2C2CCCCC2)=Nc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 5.7864 |
| logD: | 5.7067 |
| logSw: | -5.4695 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.872 |
| InChI Key: | MSECPBKYDUIFMW-UHFFFAOYSA-N |