4-(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-(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-(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: | 2233-0296 |
| Compound Name: | 4-(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: | 376.41 |
| Molecular Formula: | C25 H16 N2 O2 |
| Smiles: | C(c1ccc(cc1)N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O)#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.241 |
| logD: | 3.241 |
| logSw: | -3.5647 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.506 |
| InChI Key: | DLXCLHSEPXIXHC-UHFFFAOYSA-N |