ethyl 3-{[3-(3,5-dimethylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[3-(3,5-dimethylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
ethyl 3-{[3-(3,5-dimethylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Compound characteristics
| Compound ID: | C090-0230 |
| Compound Name: | ethyl 3-{[3-(3,5-dimethylpiperidin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C30 H29 N3 O4 |
| Smiles: | CCOC(c1cccc(c1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CC(C)CC(C)C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.138 |
| logD: | 8.138 |
| logSw: | -6.0288 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.168 |
| InChI Key: | JUHMQBPPDCKLJD-UHFFFAOYSA-N |