2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]quinazolin-4(3H)-one
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-3908 |
| Compound Name: | 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-[2-(cyclohex-1-en-1-yl)ethyl]quinazolin-4(3H)-one |
| Molecular Weight: | 428.95 |
| Molecular Formula: | C23 H22 Cl F N2 O S |
| Smiles: | C1CCC(CCN2C(=Nc3ccccc3C2=O)SCc2ccc(cc2[Cl])F)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 6.0224 |
| logD: | 6.0224 |
| logSw: | -6.1012 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.9415 |
| InChI Key: | PPVGAKAPILBZDW-UHFFFAOYSA-N |