17-(5-acetyl-2-ethoxyphenyl)-1,8-dibromo-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
17-(5-acetyl-2-ethoxyphenyl)-1,8-dibromo-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
17-(5-acetyl-2-ethoxyphenyl)-1,8-dibromo-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: | 8012-4126 |
| Compound Name: | 17-(5-acetyl-2-ethoxyphenyl)-1,8-dibromo-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: | 595.29 |
| Molecular Formula: | C28 H21 Br2 N O4 |
| Smiles: | CCOc1ccc(cc1N1C(C2C(C1=O)C1(c3ccccc3C2(c2ccccc12)[Br])[Br])=O)C(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7297 |
| logD: | 4.7297 |
| logSw: | -4.5134 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.186 |
| InChI Key: | HTJCMDPMJXOTDA-UHFFFAOYSA-N |