4-{[3-(3,5-dimethylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid
Chemical Structure Depiction of
4-{[3-(3,5-dimethylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid
4-{[3-(3,5-dimethylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid
Compound characteristics
| Compound ID: | C090-0494 |
| Compound Name: | 4-{[3-(3,5-dimethylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}butanoic acid |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C25 H27 N3 O4 |
| Smiles: | CC1CC(C)CN(C1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)NCCCC(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7925 |
| logD: | 1.9716 |
| logSw: | -4.6643 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.233 |
| InChI Key: | ICKJYJIRMIKHLF-UHFFFAOYSA-N |