3-(azepan-1-yl)-5-{[2-(4-methylpiperidin-1-yl)ethyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-(azepan-1-yl)-5-{[2-(4-methylpiperidin-1-yl)ethyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-(azepan-1-yl)-5-{[2-(4-methylpiperidin-1-yl)ethyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0116 |
| Compound Name: | 3-(azepan-1-yl)-5-{[2-(4-methylpiperidin-1-yl)ethyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C28 H34 N4 O2 |
| Smiles: | CC1CCN(CC1)CCNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 6.331 |
| logD: | 4.8478 |
| logSw: | -5.7502 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.024 |
| InChI Key: | NJSDBECFJLITLD-UHFFFAOYSA-N |