1,8-dibromo-17-(pyridin-4-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
1,8-dibromo-17-(pyridin-4-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
1,8-dibromo-17-(pyridin-4-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: | 8006-4000 |
| Compound Name: | 1,8-dibromo-17-(pyridin-4-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: | 510.18 |
| Molecular Formula: | C23 H14 Br2 N2 O2 |
| Smiles: | c1ccc2c(c1)C1(C3C(C(N(C3=O)c3ccncc3)=O)C2(c2ccccc12)[Br])[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6696 |
| logD: | 3.6687 |
| logSw: | -3.9719 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.878 |
| InChI Key: | GHTZZRRLRKOOMX-UHFFFAOYSA-N |