2-imino-10-(thiophen-2-yl)tetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
Chemical Structure Depiction of
2-imino-10-(thiophen-2-yl)tetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
2-imino-10-(thiophen-2-yl)tetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
Compound characteristics
| Compound ID: | 8012-0596 |
| Compound Name: | 2-imino-10-(thiophen-2-yl)tetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile |
| Molecular Weight: | 338.39 |
| Molecular Formula: | C17 H14 N4 O2 S |
| Smiles: | C1CCC23C(C1)C(C#N)(C#N)C(C#N)(C(c1cccs1)O2)C(=N)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3704 |
| logD: | 2.3702 |
| logSw: | -2.5412 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.667 |
| InChI Key: | BVAZBPHICLDVKX-UHFFFAOYSA-N |