17-(4-ethoxyphenyl)-1-{(E)-[(3-methylphenyl)imino]methyl}-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-(4-ethoxyphenyl)-1-{(E)-[(3-methylphenyl)imino]methyl}-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-(4-ethoxyphenyl)-1-{(E)-[(3-methylphenyl)imino]methyl}-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: | 8006-9011 |
| Compound Name: | 17-(4-ethoxyphenyl)-1-{(E)-[(3-methylphenyl)imino]methyl}-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: | 512.61 |
| Molecular Formula: | C34 H28 N2 O3 |
| Smiles: | CCOc1ccc(cc1)N1C(C2C3c4ccccc4C(/C=N/c4cccc(C)c4)(C2C1=O)c1ccccc13)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8879 |
| logD: | 5.8878 |
| logSw: | -5.6717 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.701 |
| InChI Key: | IOYBXQBHUKEZLA-UHFFFAOYSA-N |