N-[(furan-2-yl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
N-[(furan-2-yl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-0975 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 520.56 |
| Molecular Formula: | C26 H24 N4 O6 S |
| Smiles: | C1CC(CN2C(=Nc3cc(ccc3C2=O)C(NCc2ccco2)=O)SCc2cccc(c2)[N+]([O-])=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6411 |
| logD: | 3.641 |
| logSw: | -4.0207 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.969 |
| InChI Key: | CWEBSQQYUJBQRU-OAQYLSRUSA-N |