2-butyl-10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Chemical Structure Depiction of
2-butyl-10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
2-butyl-10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Compound characteristics
| Compound ID: | 8014-2343 |
| Compound Name: | 2-butyl-10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile |
| Molecular Weight: | 312.37 |
| Molecular Formula: | C17 H20 N4 O2 |
| Smiles: | CCCCC1C(C#N)(C#N)C2(C#N)C3CCCCC3(O1)OC2=N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9231 |
| logD: | 2.9231 |
| logSw: | -3.0216 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.528 |
| InChI Key: | LKSXXTHOGBYUMN-UHFFFAOYSA-N |