N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[6-{[(2-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[6-{[(2-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[6-{[(2-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
Compound characteristics
| Compound ID: | K284-5809 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[6-{[(2-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide |
| Molecular Weight: | 607.7 |
| Molecular Formula: | C32 H34 F N3 O6 S |
| Smiles: | COc1ccc(CCNC(CCCCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCc2ccccc2F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.813 |
| logD: | 4.813 |
| logSw: | -4.3667 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.439 |
| InChI Key: | YERDLMPFBUBBRS-UHFFFAOYSA-N |