N-[3-(3,5-dimethylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]-beta-alanine
Chemical Structure Depiction of
N-[3-(3,5-dimethylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]-beta-alanine
N-[3-(3,5-dimethylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]-beta-alanine
Compound characteristics
| Compound ID: | C090-0545 |
| Compound Name: | N-[3-(3,5-dimethylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]-beta-alanine |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C24 H25 N3 O4 |
| Smiles: | CC1CC(C)CN(C1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)NCCC(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3786 |
| logD: | 1.7087 |
| logSw: | -4.5401 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.233 |
| InChI Key: | UHNFSUXPSFACER-UHFFFAOYSA-N |