1,8-dibromo-17-[2-chloro-5-(trifluoromethyl)phenyl]-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-chloro-5-(trifluoromethyl)phenyl]-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-chloro-5-(trifluoromethyl)phenyl]-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: | 8009-0931 |
| Compound Name: | 1,8-dibromo-17-[2-chloro-5-(trifluoromethyl)phenyl]-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: | 611.64 |
| Molecular Formula: | C25 H13 Br2 Cl F3 N O2 |
| Smiles: | c1ccc2c(c1)C1(C3C(C(N(C3=O)c3cc(ccc3[Cl])C(F)(F)F)=O)C2(c2ccccc12)[Br])[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2328 |
| logD: | 6.2328 |
| logSw: | -6.275 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.1485 |
| InChI Key: | GLNCVDGXOYMGRH-UHFFFAOYSA-N |