3-(azepan-1-yl)-5-(benzylamino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-(azepan-1-yl)-5-(benzylamino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-(azepan-1-yl)-5-(benzylamino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0391 |
| Compound Name: | 3-(azepan-1-yl)-5-(benzylamino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C27 H25 N3 O2 |
| Smiles: | C1CCCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)NCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.4753 |
| logD: | 6.4753 |
| logSw: | -6.215 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.2 |
| InChI Key: | KBZBGZHZRBLIFZ-UHFFFAOYSA-N |