10-imino-6-methyl-2-phenyltetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Chemical Structure Depiction of
10-imino-6-methyl-2-phenyltetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
10-imino-6-methyl-2-phenyltetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Compound characteristics
| Compound ID: | 8020-5515 |
| Compound Name: | 10-imino-6-methyl-2-phenyltetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile |
| Molecular Weight: | 346.39 |
| Molecular Formula: | C20 H18 N4 O2 |
| Smiles: | CC1CCC23C(C1)C(C#N)(C(=N)O3)C(C#N)(C#N)C(c1ccccc1)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1617 |
| logD: | 3.1617 |
| logSw: | -3.4504 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.014 |
| InChI Key: | GHTRPRHOWLFKPL-UHFFFAOYSA-N |