1-{(E)-[(4-ethylphenyl)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)-[(4-ethylphenyl)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)-[(4-ethylphenyl)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: | 8007-1993 |
| Compound Name: | 1-{(E)-[(4-ethylphenyl)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: | 527.58 |
| Molecular Formula: | C33 H25 N3 O4 |
| Smiles: | CCc1ccc(cc1)/N=C/C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccccc1[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8736 |
| logD: | 5.8735 |
| logSw: | -5.6763 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.357 |
| InChI Key: | SICKUEWAUAZJEE-UHFFFAOYSA-N |