5-{[2-(azepan-1-yl)ethyl]amino}-3-(3,5-dimethylpiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-{[2-(azepan-1-yl)ethyl]amino}-3-(3,5-dimethylpiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-{[2-(azepan-1-yl)ethyl]amino}-3-(3,5-dimethylpiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0088 |
| Compound Name: | 5-{[2-(azepan-1-yl)ethyl]amino}-3-(3,5-dimethylpiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 472.63 |
| Molecular Formula: | C29 H36 N4 O2 |
| Smiles: | CC1CC(C)CN(C1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)NCCN1CCCCCC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5929 |
| logD: | 5.0022 |
| logSw: | -5.8641 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.891 |
| InChI Key: | QCUXZKAPDFXETN-UHFFFAOYSA-N |