2-imino-10-(4-methoxyphenyl)tetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
Chemical Structure Depiction of
2-imino-10-(4-methoxyphenyl)tetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
2-imino-10-(4-methoxyphenyl)tetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
Compound characteristics
| Compound ID: | 8011-0808 |
| Compound Name: | 2-imino-10-(4-methoxyphenyl)tetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile |
| Molecular Weight: | 362.39 |
| Molecular Formula: | C20 H18 N4 O3 |
| Smiles: | COc1ccc(cc1)C1C2(C#N)C(=N)OC3(CCCCC3C2(C#N)C#N)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7681 |
| logD: | 2.7679 |
| logSw: | -3.1335 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.192 |
| InChI Key: | ZPXPMXLZTDRJBW-UHFFFAOYSA-N |