3-(azepan-1-yl)-5-{[2-(3,5-dimethylpiperidin-1-yl)ethyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-(azepan-1-yl)-5-{[2-(3,5-dimethylpiperidin-1-yl)ethyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-(azepan-1-yl)-5-{[2-(3,5-dimethylpiperidin-1-yl)ethyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0120 |
| Compound Name: | 3-(azepan-1-yl)-5-{[2-(3,5-dimethylpiperidin-1-yl)ethyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 472.63 |
| Molecular Formula: | C29 H36 N4 O2 |
| Smiles: | CC1CC(C)CN(CCNc2cc(c3c4c2C(c2ccccc2c4on3)=O)N2CCCCCC2)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7799 |
| logD: | 5.2125 |
| logSw: | -5.8992 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.891 |
| InChI Key: | ICACSFAJLUEXLS-UHFFFAOYSA-N |