2-benzyl-10-iminotetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
Chemical Structure Depiction of
2-benzyl-10-iminotetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
2-benzyl-10-iminotetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile
Compound characteristics
| Compound ID: | 8010-8471 |
| Compound Name: | 2-benzyl-10-iminotetrahydro-8a,3-(epoxymethano)-1-benzopyran-3,4,4(2H,4aH)-tricarbonitrile |
| Molecular Weight: | 346.39 |
| Molecular Formula: | C20 H18 N4 O2 |
| Smiles: | C1CCC23C(C1)C(C#N)(C#N)C(C#N)(C(Cc1ccccc1)O2)C(=N)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1223 |
| logD: | 3.122 |
| logSw: | -3.2613 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.891 |
| InChI Key: | MCBJDBNHNDAUID-UHFFFAOYSA-N |