6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[2-(cyclohex-1-en-1-yl)ethyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[2-(cyclohex-1-en-1-yl)ethyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[2-(cyclohex-1-en-1-yl)ethyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | K284-5079 |
| Compound Name: | 6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[2-(cyclohex-1-en-1-yl)ethyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 472.96 |
| Molecular Formula: | C24 H22 Cl F N2 O3 S |
| Smiles: | C1CCC(CCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCc2c(cccc2[Cl])F)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 6.4393 |
| logD: | 6.4393 |
| logSw: | -6.4117 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.057 |
| InChI Key: | MLNHPDUUHKYHGP-UHFFFAOYSA-N |