2-imino-10-methyltetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
Chemical Structure Depiction of
2-imino-10-methyltetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
2-imino-10-methyltetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
Compound characteristics
| Compound ID: | 8009-8572 |
| Compound Name: | 2-imino-10-methyltetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile |
| Molecular Weight: | 270.29 |
| Molecular Formula: | C14 H14 N4 O2 |
| Smiles: | CC1C2(C#N)C(=N)OC3(CCCCC3C2(C#N)C#N)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6031 |
| logD: | 1.6026 |
| logSw: | -1.6538 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.968 |
| InChI Key: | ZZCWZTUTWMUMIA-UHFFFAOYSA-N |