N-(2-methoxyphenyl)-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}butanamide
Chemical Structure Depiction of
N-(2-methoxyphenyl)-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}butanamide
N-(2-methoxyphenyl)-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}butanamide
Compound characteristics
| Compound ID: | K284-5622 |
| Compound Name: | N-(2-methoxyphenyl)-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}butanamide |
| Molecular Weight: | 618.71 |
| Molecular Formula: | C32 H34 N4 O7 S |
| Smiles: | CCC(C(Nc1ccccc1OC)=O)SC1=Nc2cc3c(cc2C(N1CCCC(NCc1ccc(cc1)OC)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6674 |
| logD: | 4.6673 |
| logSw: | -4.2608 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.175 |
| InChI Key: | WLAWVWXPDVIAPY-NDEPHWFRSA-N |