2,6-diamino-4-(2H-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
Chemical Structure Depiction of
2,6-diamino-4-(2H-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-(2H-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8001-1305 |
| Compound Name: | 2,6-diamino-4-(2H-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile |
| Molecular Weight: | 298.32 |
| Molecular Formula: | C14 H10 N4 O2 S |
| Smiles: | C1Oc2ccc(cc2O1)C1C(C#N)=C(N)SC(=C1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 1.4442 |
| logD: | 1.4442 |
| logSw: | -2.1474 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.538 |
| InChI Key: | ODUCLVRKXPWZOR-UHFFFAOYSA-N |