1,8-dibromo-17-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-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: | 8009-0367 |
| Compound Name: | 1,8-dibromo-17-(5-chloro-2-methylphenyl)-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: | 557.67 |
| Molecular Formula: | C25 H16 Br2 Cl N O2 |
| Smiles: | Cc1ccc(cc1N1C(C2C(C1=O)C1(c3ccccc3C2(c2ccccc12)[Br])[Br])=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0134 |
| logD: | 6.0134 |
| logSw: | -6.001 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.1485 |
| InChI Key: | ZMDXNNVDQVKAML-UHFFFAOYSA-N |