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}-N-(3-methoxypropyl)butanamide
Chemical Structure Depiction of
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}-N-(3-methoxypropyl)butanamide
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}-N-(3-methoxypropyl)butanamide
Compound characteristics
| Compound ID: | K284-5611 |
| Compound Name: | 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}-N-(3-methoxypropyl)butanamide |
| Molecular Weight: | 584.69 |
| Molecular Formula: | C29 H36 N4 O7 S |
| Smiles: | CCC(C(NCCCOC)=O)SC1=Nc2cc3c(cc2C(N1CCCC(NCc1ccc(cc1)OC)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0653 |
| logD: | 3.0653 |
| logSw: | -3.4901 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.021 |
| InChI Key: | CWDWLTKNVCKHES-VWLOTQADSA-N |