N-(2H-1,3-benzodioxol-5-yl)-2-{[3-butyl-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-butyl-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-butyl-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | K284-7120 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[3-butyl-6-(morpholin-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanamide |
| Molecular Weight: | 524.64 |
| Molecular Formula: | C27 H32 N4 O5 S |
| Smiles: | CCCCN1C(=Nc2ccc(cc2C1=O)N1CCOCC1)SC(CC)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5274 |
| logD: | 4.5274 |
| logSw: | -4.1388 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.86 |
| InChI Key: | UJLFIGFWWVKMEV-DEOSSOPVSA-N |