5-[(2H-1,3-benzodioxol-5-yl)amino]-3-(3-methylpiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)amino]-3-(3-methylpiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-[(2H-1,3-benzodioxol-5-yl)amino]-3-(3-methylpiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0091 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)amino]-3-(3-methylpiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C27 H23 N3 O4 |
| Smiles: | CC1CCCN(C1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6561 |
| logD: | 6.6561 |
| logSw: | -5.9306 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.596 |
| InChI Key: | RXHUBMAWTLTTCR-HNNXBMFYSA-N |