17-(2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde
Chemical Structure Depiction of
17-(2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde
17-(2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde
Compound characteristics
Compound ID: | 3406-0564 |
Compound Name: | 17-(2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde |
Molecular Weight: | 424.41 |
Molecular Formula: | C25 H16 N2 O5 |
Smiles: | C(C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccccc1[N+]([O-])=O)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.1148 |
logD: | 3.1146 |
logSw: | -3.6998 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 75.388 |
InChI Key: | CRAOMVRUTBYWOR-UHFFFAOYSA-N |