5-{[2-(azepan-1-yl)ethyl]amino}-3-(piperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-{[2-(azepan-1-yl)ethyl]amino}-3-(piperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-{[2-(azepan-1-yl)ethyl]amino}-3-(piperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0083 |
| Compound Name: | 5-{[2-(azepan-1-yl)ethyl]amino}-3-(piperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 444.58 |
| Molecular Formula: | C27 H32 N4 O2 |
| Smiles: | C1CCCN(CC1)CCNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.9404 |
| logD: | 4.3497 |
| logSw: | -6.0834 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.024 |
| InChI Key: | KIBWNCFYYFSUHN-UHFFFAOYSA-N |