17-(4-ethoxyphenyl)-1-nitro-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-nitro-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-nitro-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: | 8009-1949 |
| Compound Name: | 17-(4-ethoxyphenyl)-1-nitro-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: | 440.45 |
| Molecular Formula: | C26 H20 N2 O5 |
| Smiles: | CCOc1ccc(cc1)N1C(C2C3c4ccccc4C(C2C1=O)(c1ccccc13)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7177 |
| logD: | 3.717 |
| logSw: | -4.0757 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.009 |
| InChI Key: | DIRRWUSLDBXNFR-UHFFFAOYSA-N |