3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-0641 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 464.93 |
| Molecular Formula: | C24 H17 Cl N2 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=Nc2ccccc2C1=O)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7586 |
| logD: | 4.7586 |
| logSw: | -4.9563 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.133 |
| InChI Key: | XYDYMDUYQZRPGB-UHFFFAOYSA-N |