2-(2,3-dimethoxyphenyl)-10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Chemical Structure Depiction of
2-(2,3-dimethoxyphenyl)-10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
2-(2,3-dimethoxyphenyl)-10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Compound characteristics
| Compound ID: | 8014-1813 |
| Compound Name: | 2-(2,3-dimethoxyphenyl)-10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C21 H20 N4 O4 |
| Smiles: | COc1cccc(C2C(C#N)(C#N)C3(C#N)C4CCCCC4(O2)OC3=N)c1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6128 |
| logD: | 2.6128 |
| logSw: | -2.9652 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.362 |
| InChI Key: | FEVYSYBMYNALQF-UHFFFAOYSA-N |