2-({6-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
Chemical Structure Depiction of
2-({6-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
2-({6-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
Compound characteristics
| Compound ID: | C090-0409 |
| Compound Name: | 2-({6-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid |
| Molecular Weight: | 517.54 |
| Molecular Formula: | C30 H23 N5 O4 |
| Smiles: | C1CN(CCN1c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccccc1C(O)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 7.2004 |
| logD: | 2.5639 |
| logSw: | -6.0141 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.029 |
| InChI Key: | QSJRLMLVKSFHOX-UHFFFAOYSA-N |