2-({7-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-(2-ethylphenyl)butanamide
Chemical Structure Depiction of
2-({7-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-(2-ethylphenyl)butanamide
2-({7-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-(2-ethylphenyl)butanamide
Compound characteristics
Compound ID: | K284-6070 |
Compound Name: | 2-({7-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-(2-ethylphenyl)butanamide |
Molecular Weight: | 545.61 |
Molecular Formula: | C29 H27 N3 O6 S |
Smiles: | CCC(C(Nc1ccccc1CC)=O)SC1=Nc2cc3c(cc2C(N1Cc1ccc2c(c1)OCO2)=O)OCO3 |
Stereo: | RACEMIC MIXTURE |
logP: | 6.4132 |
logD: | 6.4132 |
logSw: | -5.6288 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.667 |
InChI Key: | FTKHBBBDKJAKOS-SANMLTNESA-N |