2-(2H-1,3-benzodioxol-5-yl)-10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
2-(2H-1,3-benzodioxol-5-yl)-10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile
Compound characteristics
| Compound ID: | 8019-7178 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-10-iminotetrahydro-8a,4-(epoxymethano)-1-benzopyran-3,3,4(2H,4aH)-tricarbonitrile |
| Molecular Weight: | 376.37 |
| Molecular Formula: | C20 H16 N4 O4 |
| Smiles: | C1CCC23C(C1)C(C#N)(C(=N)O3)C(C#N)(C#N)C(c1ccc3c(c1)OCO3)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7168 |
| logD: | 2.7168 |
| logSw: | -3.1093 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.13 |
| InChI Key: | SZGCDSLZHBWKBN-UHFFFAOYSA-N |