N-(2H-1,3-benzodioxol-5-yl)-2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | K284-4978 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}butanamide |
| Molecular Weight: | 556.68 |
| Molecular Formula: | C31 H32 N4 O4 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)SC1=Nc2ccc(cc2C(N1Cc1ccccc1)=O)N1CCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0246 |
| logD: | 6.0245 |
| logSw: | -5.3561 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.702 |
| InChI Key: | NAGLVDGMGJXIAS-NDEPHWFRSA-N |