2,6-diamino-4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
Chemical Structure Depiction of
2,6-diamino-4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8019-7494 |
| Compound Name: | 2,6-diamino-4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile |
| Molecular Weight: | 358.37 |
| Molecular Formula: | C16 H14 N4 O4 S |
| Smiles: | COc1cc(C2C(C#N)=C(N)SC(=C2C#N)N)c(c2c1OCO2)OC |
| Stereo: | ACHIRAL |
| logP: | 1.1826 |
| logD: | 1.1826 |
| logSw: | -1.9486 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 106.254 |
| InChI Key: | WVPDYBUVWKQQFJ-UHFFFAOYSA-N |