4-{(E)-[(1',3'-dioxo-1',3',3'a,4',7',7'a-hexahydro-2'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindol]-2'-yl)imino]methyl}benzonitrile
Chemical Structure Depiction of
4-{(E)-[(1',3'-dioxo-1',3',3'a,4',7',7'a-hexahydro-2'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindol]-2'-yl)imino]methyl}benzonitrile
4-{(E)-[(1',3'-dioxo-1',3',3'a,4',7',7'a-hexahydro-2'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindol]-2'-yl)imino]methyl}benzonitrile
Compound characteristics
| Compound ID: | 8007-5541 |
| Compound Name: | 4-{(E)-[(1',3'-dioxo-1',3',3'a,4',7',7'a-hexahydro-2'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindol]-2'-yl)imino]methyl}benzonitrile |
| Molecular Weight: | 317.35 |
| Molecular Formula: | C19 H15 N3 O2 |
| Smiles: | C1CC12C1C=CC2C2C1C(N(C2=O)/N=C/c1ccc(C#N)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8286 |
| logD: | 0.8286 |
| logSw: | -1.6402 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.059 |
| InChI Key: | XPQVEXHNVYPCAX-UHFFFAOYSA-N |