3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-(4-fluoroanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-(4-fluoroanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-(4-fluoroanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0268 |
| Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-(4-fluoroanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 548.57 |
| Molecular Formula: | C32 H25 F N4 O4 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 6.9201 |
| logD: | 6.4725 |
| logSw: | -6.3498 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.203 |
| InChI Key: | GXRCMRYKWWMIAO-UHFFFAOYSA-N |