9-imino-2-phenyltetrahydro-3,8a-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
Chemical Structure Depiction of
9-imino-2-phenyltetrahydro-3,8a-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
9-imino-2-phenyltetrahydro-3,8a-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
Compound characteristics
| Compound ID: | 8020-8037 |
| Compound Name: | 9-imino-2-phenyltetrahydro-3,8a-(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)O3)OC2=N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7768 |
| logD: | 2.7756 |
| logSw: | -3.1345 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.546 |
| InChI Key: | UGQUTVHZGQYSBN-UHFFFAOYSA-N |