3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-chlorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-chlorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-chlorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-0619 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(3-chlorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 436.92 |
| Molecular Formula: | C23 H17 Cl N2 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=Nc2ccccc2C1=O)SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2942 |
| logD: | 5.2942 |
| logSw: | -5.7608 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.887 |
| InChI Key: | XYYBFHVOBHABJF-UHFFFAOYSA-N |