N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(morpholin-4-yl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(morpholin-4-yl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(morpholin-4-yl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | K284-7002 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[6-(morpholin-4-yl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}butanamide |
| Molecular Weight: | 572.68 |
| Molecular Formula: | C31 H32 N4 O5 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)SC1=Nc2ccc(cc2C(N1CCc1ccccc1)=O)N1CCOCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.965 |
| logD: | 4.9649 |
| logSw: | -4.4901 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.589 |
| InChI Key: | DULNKWTYLADUOC-NDEPHWFRSA-N |