2-{[3-(3,5-dimethylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl propanoate
Chemical Structure Depiction of
2-{[3-(3,5-dimethylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl propanoate
2-{[3-(3,5-dimethylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl propanoate
Compound characteristics
Compound ID: | C620-0085 |
Compound Name: | 2-{[3-(3,5-dimethylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}ethyl propanoate |
Molecular Weight: | 447.53 |
Molecular Formula: | C26 H29 N3 O4 |
Smiles: | CCC(=O)OCCNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CC(C)CC(C)C1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.9341 |
logD: | 5.9341 |
logSw: | -5.8248 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.302 |
InChI Key: | RUCUEZBJAOBDPY-UHFFFAOYSA-N |