2-imino-10-phenyltetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
Chemical Structure Depiction of
2-imino-10-phenyltetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
2-imino-10-phenyltetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
Compound characteristics
| Compound ID: | 8020-7965 |
| Compound Name: | 2-imino-10-phenyltetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile |
| Molecular Weight: | 332.36 |
| Molecular Formula: | C19 H16 N4 O2 |
| Smiles: | C1CCC23C(C1)C(C#N)(C#N)C(C#N)(C(c1ccccc1)O2)C(=N)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.79 |
| logD: | 2.7898 |
| logSw: | -3.1771 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.648 |
| InChI Key: | YDHPTFXGAJFNQY-UHFFFAOYSA-N |