3-({3-[4-(ethoxycarbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
Chemical Structure Depiction of
3-({3-[4-(ethoxycarbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
3-({3-[4-(ethoxycarbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
Compound characteristics
| Compound ID: | C090-0431 |
| Compound Name: | 3-({3-[4-(ethoxycarbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid |
| Molecular Weight: | 512.52 |
| Molecular Formula: | C28 H24 N4 O6 |
| Smiles: | CCOC(N1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3652 |
| logD: | 3.0709 |
| logSw: | -5.7301 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.735 |
| InChI Key: | AMHLHUPAUXAKPJ-UHFFFAOYSA-N |