3-[(furan-2-yl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(furan-2-yl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
3-[(furan-2-yl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-4480 |
| Compound Name: | 3-[(furan-2-yl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 520.56 |
| Molecular Formula: | C26 H24 N4 O6 S |
| Smiles: | C1CC(CNC(c2ccc3C(N(Cc4ccco4)C(=Nc3c2)SCc2ccc(cc2)[N+]([O-])=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0377 |
| logD: | 3.0377 |
| logSw: | -3.6779 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.969 |
| InChI Key: | XMVIYYNAQZHPMU-HXUWFJFHSA-N |