6-[6-{[(2-chlorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
Chemical Structure Depiction of
6-[6-{[(2-chlorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
6-[6-{[(2-chlorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
Compound characteristics
| Compound ID: | K284-5812 |
| Compound Name: | 6-[6-{[(2-chlorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide |
| Molecular Weight: | 624.16 |
| Molecular Formula: | C32 H34 Cl N3 O6 S |
| Smiles: | COc1ccc(CCNC(CCCCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCc2ccccc2[Cl])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.1851 |
| logD: | 5.1851 |
| logSw: | -5.4105 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.439 |
| InChI Key: | PCCUIWFPMCYCDR-UHFFFAOYSA-N |