2-(2H-1,3-benzodioxol-5-yl)-3-[4-(butan-2-yl)phenyl]-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-3-[4-(butan-2-yl)phenyl]-2,3-dihydroquinazolin-4(1H)-one
2-(2H-1,3-benzodioxol-5-yl)-3-[4-(butan-2-yl)phenyl]-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | 4721-1552 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-3-[4-(butan-2-yl)phenyl]-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C25 H24 N2 O3 |
| Smiles: | CCC(C)c1ccc(cc1)N1C(c2ccc3c(c2)OCO3)Nc2ccccc2C1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1822 |
| logD: | 6.1822 |
| logSw: | -5.5405 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.847 |
| InChI Key: | GKHUABMPSKPWAG-UHFFFAOYSA-N |