17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbonitrile
Chemical Structure Depiction of
17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbonitrile
17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbonitrile
Compound characteristics
| Compound ID: | 8008-4235 |
| Compound Name: | 17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbonitrile |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C26 H18 N2 O2 |
| Smiles: | C(c1ccccc1)N1C(C2C3c4ccccc4C(C#N)(C2C1=O)c1ccccc13)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9141 |
| logD: | 3.9131 |
| logSw: | -4.321 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.117 |
| InChI Key: | RAKWDQWMBUADHW-UHFFFAOYSA-N |