2-chloro-5-{2-[2-(naphthalen-1-yl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid
Chemical Structure Depiction of
2-chloro-5-{2-[2-(naphthalen-1-yl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid
2-chloro-5-{2-[2-(naphthalen-1-yl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid
Compound characteristics
| Compound ID: | K505-0634 |
| Compound Name: | 2-chloro-5-{2-[2-(naphthalen-1-yl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid |
| Molecular Weight: | 452.9 |
| Molecular Formula: | C27 H17 Cl N2 O3 |
| Smiles: | C(=C/c1cccc2ccccc12)\C1=Nc2ccccc2C(N1c1ccc(c(c1)C(O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3028 |
| logD: | 1.6963 |
| logSw: | -5.8756 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.731 |
| InChI Key: | IGWJKQAUMJSMFA-UHFFFAOYSA-N |