4-{[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-{[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
4-{[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-7216 |
| Compound Name: | 4-{[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 530.6 |
| Molecular Formula: | C28 H26 N4 O5 S |
| Smiles: | C1CC(CNC(c2ccc(CN3C(=Nc4ccccc4C3=O)SCc3cccc(c3)[N+]([O-])=O)cc2)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6773 |
| logD: | 3.6773 |
| logSw: | -4.0847 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.22 |
| InChI Key: | HOSVWLGHMVRLTL-HSZRJFAPSA-N |