2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4-ethylphenyl)butanamide
Chemical Structure Depiction of
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4-ethylphenyl)butanamide
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4-ethylphenyl)butanamide
Compound characteristics
| Compound ID: | K284-6949 |
| Compound Name: | 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4-ethylphenyl)butanamide |
| Molecular Weight: | 586.71 |
| Molecular Formula: | C32 H34 N4 O5 S |
| Smiles: | CCC(C(Nc1ccc(CC)cc1)=O)SC1=Nc2ccc(cc2C(N1Cc1ccc2c(c1)OCO2)=O)N1CCOCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8346 |
| logD: | 5.8346 |
| logSw: | -5.4211 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.61 |
| InChI Key: | ACQGILBSYOIIGX-LJAQVGFWSA-N |