N-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine
Chemical Structure Depiction of
N-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine
N-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine
Compound characteristics
| Compound ID: | C090-0556 |
| Compound Name: | N-{3-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine |
| Molecular Weight: | 486.48 |
| Molecular Formula: | C26 H22 N4 O6 |
| Smiles: | C(CNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)C(c1ccco1)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9344 |
| logD: | 0.2644 |
| logSw: | -3.8044 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.4 |
| InChI Key: | FDQJDAAZHWTNNG-UHFFFAOYSA-N |