2-(1-acetyl-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
2-(1-acetyl-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
2-(1-acetyl-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: | 8009-7456 |
| Compound Name: | 2-(1-acetyl-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: | 418.45 |
| Molecular Formula: | C27 H18 N2 O3 |
| Smiles: | CC(C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccccc1C#N)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0321 |
| logD: | 3.032 |
| logSw: | -3.5699 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.032 |
| InChI Key: | ISEXWGDFCNCGGU-UHFFFAOYSA-N |