1-{(E)-[(3-bromophenyl)imino]methyl}-17-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-{(E)-[(3-bromophenyl)imino]methyl}-17-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-{(E)-[(3-bromophenyl)imino]methyl}-17-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: | 8004-5458 |
| Compound Name: | 1-{(E)-[(3-bromophenyl)imino]methyl}-17-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: | 533.42 |
| Molecular Formula: | C31 H21 Br N2 O2 |
| Smiles: | C(\C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccccc1)=O)=N/c1cccc(c1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6925 |
| logD: | 5.6925 |
| logSw: | -5.9203 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.577 |
| InChI Key: | ROCBZBJWHGJNNW-UHFFFAOYSA-N |