1-{(E)-[(2,3-dichlorophenyl)imino]methyl}-17-(2-nitrophenyl)-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)-[(2,3-dichlorophenyl)imino]methyl}-17-(2-nitrophenyl)-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)-[(2,3-dichlorophenyl)imino]methyl}-17-(2-nitrophenyl)-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: | 8007-4686 |
| Compound Name: | 1-{(E)-[(2,3-dichlorophenyl)imino]methyl}-17-(2-nitrophenyl)-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: | 568.42 |
| Molecular Formula: | C31 H19 Cl2 N3 O4 |
| Smiles: | C(\C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccccc1[N+]([O-])=O)=O)=N/c1cccc(c1[Cl])[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.181 |
| logD: | 6.181 |
| logSw: | -6.3866 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.659 |
| InChI Key: | XCIMKPQIABOVKQ-UHFFFAOYSA-N |