N-(2H-1,3-benzodioxol-5-yl)-2-({3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-({3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-({3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)butanamide
Compound characteristics
| Compound ID: | K284-6884 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({3-[(4-methoxyphenyl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)butanamide |
| Molecular Weight: | 588.68 |
| Molecular Formula: | C31 H32 N4 O6 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)SC1=Nc2ccc(cc2C(N1Cc1ccc(cc1)OC)=O)N1CCOCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8483 |
| logD: | 4.8482 |
| logSw: | -4.5283 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.154 |
| InChI Key: | CPEJTWXMENTVTO-NDEPHWFRSA-N |