3-benzyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-benzyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-2,3-dihydroquinazolin-4(1H)-one
3-benzyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | 3118-0289 |
| Compound Name: | 3-benzyl-2-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 509.56 |
| Molecular Formula: | C30 H27 N3 O5 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)OCc1cc(ccc1OC)C1Nc2ccccc2C(N1Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0666 |
| logD: | 6.0666 |
| logSw: | -5.5735 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.282 |
| InChI Key: | MOYLPBIFLLZYAV-LJAQVGFWSA-N |