2-{[6-oxo-3-(4-phenylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoic acid
Chemical Structure Depiction of
2-{[6-oxo-3-(4-phenylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoic acid
2-{[6-oxo-3-(4-phenylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoic acid
Compound characteristics
| Compound ID: | C090-0397 |
| Compound Name: | 2-{[6-oxo-3-(4-phenylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoic acid |
| Molecular Weight: | 516.56 |
| Molecular Formula: | C31 H24 N4 O4 |
| Smiles: | C1CN(CCN1c1ccccc1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5328 |
| logD: | 2.8963 |
| logSw: | -6.0891 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.518 |
| InChI Key: | CBFJXZDMZYZBCK-UHFFFAOYSA-N |