4-({3-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butanoic acid
Chemical Structure Depiction of
4-({3-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butanoic acid
4-({3-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butanoic acid
Compound characteristics
| Compound ID: | C090-0488 |
| Compound Name: | 4-({3-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}amino)butanoic acid |
| Molecular Weight: | 500.53 |
| Molecular Formula: | C28 H25 F N4 O4 |
| Smiles: | C(CC(O)=O)CNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.9538 |
| logD: | 2.133 |
| logSw: | -4.7906 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.325 |
| InChI Key: | NPTXAVKUCWZHKA-UHFFFAOYSA-N |