17-(2-methyl-4-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-methyl-4-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-methyl-4-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: | 3406-0270 |
| Compound Name: | 17-(2-methyl-4-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: | 438.44 |
| Molecular Formula: | C26 H18 N2 O5 |
| Smiles: | Cc1cc(ccc1N1C(C2C3c4ccccc4C(C=O)(C2C1=O)c1ccccc13)=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8234 |
| logD: | 3.8233 |
| logSw: | -4.122 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.689 |
| InChI Key: | IBSHIRMRZBWCHY-UHFFFAOYSA-N |