2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(2-methoxyphenyl)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-(2-methoxyphenyl)butanamide
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(2-methoxyphenyl)butanamide
Compound characteristics
| Compound ID: | K284-6951 |
| Compound Name: | 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(2-methoxyphenyl)butanamide |
| Molecular Weight: | 588.68 |
| Molecular Formula: | C31 H32 N4 O6 S |
| Smiles: | CCC(C(Nc1ccccc1OC)=O)SC1=Nc2ccc(cc2C(N1Cc1ccc2c(c1)OCO2)=O)N1CCOCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9556 |
| logD: | 4.9556 |
| logSw: | -4.4723 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.543 |
| InChI Key: | CBDRMXNFPOTYAO-NDEPHWFRSA-N |