3-({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
3-({6-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
3-({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: | C090-0410 |
| Compound Name: | 3-({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)Nc1cccc(c1)C(O)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 7.1304 |
| logD: | 3.836 |
| logSw: | -6.0485 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.727 |
| InChI Key: | NBJWILOMAMZDIZ-UHFFFAOYSA-N |