5-[4-(dimethylamino)anilino]-3-(3-methylpiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-[4-(dimethylamino)anilino]-3-(3-methylpiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-[4-(dimethylamino)anilino]-3-(3-methylpiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0095 |
| Compound Name: | 5-[4-(dimethylamino)anilino]-3-(3-methylpiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 452.56 |
| Molecular Formula: | C28 H28 N4 O2 |
| Smiles: | CC1CCCN(C1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc(cc1)N(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.913 |
| logD: | 6.902 |
| logSw: | -5.9692 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.285 |
| InChI Key: | ILVWOMPNDQZHSB-KRWDZBQOSA-N |