1,8-dimethyl-17-(3-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
1,8-dimethyl-17-(3-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
1,8-dimethyl-17-(3-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: | 8006-4101 |
Compound Name: | 1,8-dimethyl-17-(3-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: | 424.46 |
Molecular Formula: | C26 H20 N2 O4 |
Smiles: | CC12C3C(C(N(C3=O)c3cccc(c3)[N+]([O-])=O)=O)C(C)(c3ccccc13)c1ccccc12 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.7026 |
logD: | 3.7026 |
logSw: | -4.0293 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 61.831 |
InChI Key: | RQFRHMUEMJAHKF-UHFFFAOYSA-N |