N'-{(E)-[17-(2-chlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylidene}-2-nitrobenzohydrazide
Chemical Structure Depiction of
N'-{(E)-[17-(2-chlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylidene}-2-nitrobenzohydrazide
N'-{(E)-[17-(2-chlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylidene}-2-nitrobenzohydrazide
Compound characteristics
| Compound ID: | K206-0112 |
| Compound Name: | N'-{(E)-[17-(2-chlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylidene}-2-nitrobenzohydrazide |
| Molecular Weight: | 577 |
| Molecular Formula: | C32 H21 Cl N4 O5 |
| Smiles: | C(\C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccccc1[Cl])=O)=N/NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8482 |
| logD: | 4.7731 |
| logSw: | -4.9986 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.545 |
| InChI Key: | KRYFZGLHYKFDDY-UHFFFAOYSA-N |