3-({3-[4-(furan-2-carbonyl)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-(furan-2-carbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
3-({3-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
Compound characteristics
| Compound ID: | C090-0407 |
| Compound Name: | 3-({3-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid |
| Molecular Weight: | 534.53 |
| Molecular Formula: | C30 H22 N4 O6 |
| Smiles: | C1CN(CCN1C(c1ccco1)=O)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0356 |
| logD: | 2.7413 |
| logSw: | -5.9809 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.99 |
| InChI Key: | UOKHBLOAGSNBST-UHFFFAOYSA-N |