3-{[6-oxo-3-(4-phenylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoic acid
Chemical Structure Depiction of
3-{[6-oxo-3-(4-phenylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoic acid
3-{[6-oxo-3-(4-phenylpiperazin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoic acid
Compound characteristics
| Compound ID: | C090-0398 |
| Compound Name: | 3-{[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)Nc1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4627 |
| logD: | 4.1684 |
| logSw: | -6.1233 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.215 |
| InChI Key: | SDQYAJUPGGNSBA-UHFFFAOYSA-N |