3-({3-[3-(ethoxycarbonyl)piperidin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
Chemical Structure Depiction of
3-({3-[3-(ethoxycarbonyl)piperidin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
3-({3-[3-(ethoxycarbonyl)piperidin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
Compound characteristics
| Compound ID: | C090-0461 |
| Compound Name: | 3-({3-[3-(ethoxycarbonyl)piperidin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid |
| Molecular Weight: | 511.53 |
| Molecular Formula: | C29 H25 N3 O6 |
| Smiles: | CCOC(C1CCCN(C1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1cccc(c1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5602 |
| logD: | 3.2659 |
| logSw: | -5.7392 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.642 |
| InChI Key: | YZPQUKFFHIRGJF-KRWDZBQOSA-N |