ethyl 2-{[7-(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}hexanoate
Chemical Structure Depiction of
ethyl 2-{[7-(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}hexanoate
ethyl 2-{[7-(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}hexanoate
Compound characteristics
| Compound ID: | K284-5669 |
| Compound Name: | ethyl 2-{[7-(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}hexanoate |
| Molecular Weight: | 613.73 |
| Molecular Formula: | C31 H39 N3 O8 S |
| Smiles: | CCCCC(C(=O)OCC)SC1=Nc2cc3c(cc2C(N1CCCC(NCCc1ccc(c(c1)OC)OC)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2321 |
| logD: | 4.2321 |
| logSw: | -4.2315 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.464 |
| InChI Key: | QBGRKEWHAMEIRE-MHZLTWQESA-N |