3-(azepan-1-yl)-5-{[2-(dimethylamino)ethyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-(azepan-1-yl)-5-{[2-(dimethylamino)ethyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-(azepan-1-yl)-5-{[2-(dimethylamino)ethyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0117 |
| Compound Name: | 3-(azepan-1-yl)-5-{[2-(dimethylamino)ethyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C24 H28 N4 O2 |
| Smiles: | CN(C)CCNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.0969 |
| logD: | 3.6584 |
| logSw: | -4.973 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.179 |
| InChI Key: | SZSSDAYEIZNXDL-UHFFFAOYSA-N |