N-{3-[4-(4-methoxyphenyl)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-methoxyphenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine
Compound characteristics
| Compound ID: | C090-0548 |
| Compound Name: | N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine |
| Molecular Weight: | 498.54 |
| Molecular Formula: | C28 H26 N4 O5 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)NCCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4654 |
| logD: | 1.7954 |
| logSw: | -4.5379 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.17 |
| InChI Key: | RGURANUBCAQSPK-UHFFFAOYSA-N |