2-{[7-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-(2-methoxyphenyl)butanamide
Chemical Structure Depiction of
2-{[7-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-(2-methoxyphenyl)butanamide
2-{[7-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-(2-methoxyphenyl)butanamide
Compound characteristics
| Compound ID: | K284-5662 |
| Compound Name: | 2-{[7-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-(2-methoxyphenyl)butanamide |
| Molecular Weight: | 632.69 |
| Molecular Formula: | C32 H32 N4 O8 S |
| Smiles: | CCC(C(Nc1ccccc1OC)=O)SC1=Nc2cc3c(cc2C(N1CCCC(NCc1ccc2c(c1)OCO2)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5981 |
| logD: | 4.598 |
| logSw: | -4.2055 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.747 |
| InChI Key: | BGWPAZOTIVOMBB-NDEPHWFRSA-N |