17-(2H-1,3-benzodioxol-5-yl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Chemical Structure Depiction of
17-(2H-1,3-benzodioxol-5-yl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
17-(2H-1,3-benzodioxol-5-yl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Compound characteristics
| Compound ID: | 8008-8448 |
| Compound Name: | 17-(2H-1,3-benzodioxol-5-yl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione |
| Molecular Weight: | 395.41 |
| Molecular Formula: | C25 H17 N O4 |
| Smiles: | C1Oc2ccc(cc2O1)N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5424 |
| logD: | 3.5424 |
| logSw: | -3.7482 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.565 |
| InChI Key: | JDISKVMLRXGPOM-UHFFFAOYSA-N |