1,8-dibromo-17-[(pyridin-3-yl)methyl]-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-3-yl)methyl]-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-3-yl)methyl]-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: | 8008-7585 |
| Compound Name: | 1,8-dibromo-17-[(pyridin-3-yl)methyl]-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: | 524.21 |
| Molecular Formula: | C24 H16 Br2 N2 O2 |
| Smiles: | C(c1cccnc1)N1C(C2C(C1=O)C1(c3ccccc3C2(c2ccccc12)[Br])[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2077 |
| logD: | 4.2073 |
| logSw: | -4.2681 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.579 |
| InChI Key: | YOYCDSDAPZQQRT-UHFFFAOYSA-N |