4-(1-methyl-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-17-yl)benzonitrile
Chemical Structure Depiction of
4-(1-methyl-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-17-yl)benzonitrile
4-(1-methyl-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-17-yl)benzonitrile
Compound characteristics
| Compound ID: | 2360-0325 |
| Compound Name: | 4-(1-methyl-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-17-yl)benzonitrile |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C26 H18 N2 O2 |
| Smiles: | CC12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccc(C#N)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3614 |
| logD: | 3.3614 |
| logSw: | -3.7368 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.506 |
| InChI Key: | JRVRNBYUKIAXTL-UHFFFAOYSA-N |