3-[6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Chemical Structure Depiction of
3-[6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
3-[6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | K284-5531 |
| Compound Name: | 3-[6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide |
| Molecular Weight: | 604.68 |
| Molecular Formula: | C31 H32 N4 O7 S |
| Smiles: | COc1ccc(CCNC(CCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(NCc2ccccc2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.8488 |
| logD: | 2.8488 |
| logSw: | -3.533 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.91 |
| InChI Key: | IKXDGKVFELGONO-UHFFFAOYSA-N |