3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(hexyloxy)phenyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(hexyloxy)phenyl]quinazolin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(hexyloxy)phenyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V003-1707 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(hexyloxy)phenyl]quinazolin-4(3H)-one |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C28 H28 N2 O4 |
| Smiles: | CCCCCCOc1ccccc1C1=Nc2ccccc2C(N1Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4129 |
| logD: | 6.4123 |
| logSw: | -5.6214 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.97 |
| InChI Key: | GJYUZWCOQJXQCU-UHFFFAOYSA-N |