3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-0626 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C24 H20 N2 O3 S |
| Smiles: | Cc1ccccc1CSC1=Nc2ccccc2C(N1Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4389 |
| logD: | 5.4389 |
| logSw: | -5.3483 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.887 |
| InChI Key: | GBHLWBKLCUQRQM-UHFFFAOYSA-N |