4-{2-[2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid
Chemical Structure Depiction of
4-{2-[2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid
4-{2-[2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid
Compound characteristics
| Compound ID: | 3089-0972 |
| Compound Name: | 4-{2-[2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid |
| Molecular Weight: | 413.39 |
| Molecular Formula: | C23 H15 N3 O5 |
| Smiles: | C(=C/c1cccc(c1)[N+]([O-])=O)\C1=Nc2ccccc2C(N1c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8518 |
| logD: | 1.4566 |
| logSw: | -4.0628 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.384 |
| InChI Key: | QSLPWAOQMDEDBC-UHFFFAOYSA-N |