N-[3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]-beta-alanine
Chemical Structure Depiction of
N-[3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]-beta-alanine
N-[3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]-beta-alanine
Compound characteristics
| Compound ID: | C090-0562 |
| Compound Name: | N-[3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]-beta-alanine |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C23 H23 N3 O4 |
| Smiles: | C1CCCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)NCCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2221 |
| logD: | 1.5522 |
| logSw: | -4.4058 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.697 |
| InChI Key: | XJRKSFYBUWDAEO-UHFFFAOYSA-N |