1,8-dibromo-17-[2-(3,4-dimethoxyphenyl)ethyl]-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
1,8-dibromo-17-[2-(3,4-dimethoxyphenyl)ethyl]-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
1,8-dibromo-17-[2-(3,4-dimethoxyphenyl)ethyl]-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: | 8007-7065 |
| Compound Name: | 1,8-dibromo-17-[2-(3,4-dimethoxyphenyl)ethyl]-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: | 597.3 |
| Molecular Formula: | C28 H23 Br2 N O4 |
| Smiles: | COc1ccc(CCN2C(C3C(C2=O)C2(c4ccccc4C3(c3ccccc23)[Br])[Br])=O)cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1398 |
| logD: | 5.1398 |
| logSw: | -4.993 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.3 |
| InChI Key: | ZDBDENICRMGGKC-UHFFFAOYSA-N |