3-({3-[4-(4-fluorophenyl)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-(4-fluorophenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
3-({3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid
Compound characteristics
| Compound ID: | C090-0434 |
| Compound Name: | 3-({3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)benzoic acid |
| Molecular Weight: | 534.55 |
| Molecular Formula: | C31 H23 F N4 O4 |
| Smiles: | C1CN(CCN1c1ccc(cc1)F)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6134 |
| logD: | 4.319 |
| logSw: | -6.1372 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.215 |
| InChI Key: | KVDMNFHHFSOYQW-UHFFFAOYSA-N |