3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-0644 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 454.91 |
| Molecular Formula: | C23 H16 Cl F N2 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=Nc2ccccc2C1=O)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.3879 |
| logD: | 5.3879 |
| logSw: | -5.9051 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.887 |
| InChI Key: | OEQDCNKVNMSXSP-UHFFFAOYSA-N |