N-[(4-methoxyphenyl)methyl]-4-[6-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-4-[6-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
N-[(4-methoxyphenyl)methyl]-4-[6-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-5604 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-4-[6-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide |
| Molecular Weight: | 582.68 |
| Molecular Formula: | C29 H34 N4 O7 S |
| Smiles: | CCC(C(N1CCOCC1)=O)SC1=Nc2cc3c(cc2C(N1CCCC(NCc1ccc(cc1)OC)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8042 |
| logD: | 2.8042 |
| logSw: | -3.4692 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.709 |
| InChI Key: | KVTXXEAWUGMLJX-VWLOTQADSA-N |