N-{3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine
Chemical Structure Depiction of
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine
Compound characteristics
| Compound ID: | C090-0550 |
| Compound Name: | N-{3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine |
| Molecular Weight: | 486.5 |
| Molecular Formula: | C27 H23 F N4 O4 |
| Smiles: | C(CNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)c1ccc(cc1)F)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5121 |
| logD: | 1.8421 |
| logSw: | -4.5938 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.626 |
| InChI Key: | OMNMBRYWMDGTKS-UHFFFAOYSA-N |