1-bromo-17-(4-methoxyphenyl)-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-bromo-17-(4-methoxyphenyl)-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-bromo-17-(4-methoxyphenyl)-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: | 1650-0375 |
| Compound Name: | 1-bromo-17-(4-methoxyphenyl)-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: | 460.33 |
| Molecular Formula: | C25 H18 Br N O3 |
| Smiles: | COc1ccc(cc1)N1C(C2C3c4ccccc4C(C2C1=O)(c1ccccc13)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2024 |
| logD: | 4.2024 |
| logSw: | -4.494 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.993 |
| InChI Key: | GIUXJBYARNJFGJ-UHFFFAOYSA-N |