N'-{(E)-[17-(2-bromo-4-methylphenyl)-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}-4-fluorobenzohydrazide
Chemical Structure Depiction of
N'-{(E)-[17-(2-bromo-4-methylphenyl)-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}-4-fluorobenzohydrazide
N'-{(E)-[17-(2-bromo-4-methylphenyl)-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}-4-fluorobenzohydrazide
Compound characteristics
| Compound ID: | K206-0117 |
| Compound Name: | N'-{(E)-[17-(2-bromo-4-methylphenyl)-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}-4-fluorobenzohydrazide |
| Molecular Weight: | 608.47 |
| Molecular Formula: | C33 H23 Br F N3 O3 |
| Smiles: | Cc1ccc(c(c1)[Br])N1C(C2C3c4ccccc4C(/C=N/NC(c4ccc(cc4)F)=O)(C2C1=O)c1ccccc13)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9617 |
| logD: | 5.9592 |
| logSw: | -5.604 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.464 |
| InChI Key: | SWWSHKYOXLBVJN-UHFFFAOYSA-N |