2-chloro-5-{2-[2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid
Chemical Structure Depiction of
2-chloro-5-{2-[2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid
2-chloro-5-{2-[2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid
Compound characteristics
| Compound ID: | K505-0079 |
| Compound Name: | 2-chloro-5-{2-[2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid |
| Molecular Weight: | 447.83 |
| Molecular Formula: | C23 H14 Cl N3 O5 |
| Smiles: | C(=C/c1cccc(c1)[N+]([O-])=O)\C1=Nc2ccccc2C(N1c1ccc(c(c1)C(O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.182 |
| logD: | 0.5754 |
| logSw: | -4.3975 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.384 |
| InChI Key: | VDGWGNVGTPCKIH-UHFFFAOYSA-N |