2,6-diamino-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
Chemical Structure Depiction of
2,6-diamino-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-0375 |
| Compound Name: | 2,6-diamino-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile |
| Molecular Weight: | 358.37 |
| Molecular Formula: | C16 H14 N4 O4 S |
| Smiles: | COc1c(cc2c(c1OC)OCO2)C1C(C#N)=C(N)SC(=C1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 1.4287 |
| logD: | 1.4287 |
| logSw: | -1.9337 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 106.656 |
| InChI Key: | SKFLQPGMCUBZLK-UHFFFAOYSA-N |