ethyl 2-{[7-(4-{[(4-methoxyphenyl)methyl]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-{[(4-methoxyphenyl)methyl]amino}-4-oxobutyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}hexanoate
ethyl 2-{[7-(4-{[(4-methoxyphenyl)methyl]amino}-4-oxobutyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}hexanoate
Compound characteristics
| Compound ID: | K284-5585 |
| Compound Name: | ethyl 2-{[7-(4-{[(4-methoxyphenyl)methyl]amino}-4-oxobutyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}hexanoate |
| Molecular Weight: | 569.68 |
| Molecular Formula: | C29 H35 N3 O7 S |
| Smiles: | CCCCC(C(=O)OCC)SC1=Nc2cc3c(cc2C(N1CCCC(NCc1ccc(cc1)OC)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9227 |
| logD: | 4.9227 |
| logSw: | -4.5679 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.905 |
| InChI Key: | HEVRWMIZBMSVQD-VWLOTQADSA-N |