ethyl (1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate
Chemical Structure Depiction of
ethyl (1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate
ethyl (1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate
Compound characteristics
| Compound ID: | 8008-8792 |
| Compound Name: | ethyl (1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate |
| Molecular Weight: | 519.19 |
| Molecular Formula: | C22 H17 Br2 N O4 |
| Smiles: | CCOC(CN1C(C2C(C1=O)C1(c3ccccc3C2(c2ccccc12)[Br])[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9526 |
| logD: | 3.9526 |
| logSw: | -3.982 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.491 |
| InChI Key: | ODQYFUXNJBTGBK-UHFFFAOYSA-N |