2,6-diamino-4-(3,4-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Chemical Structure Depiction of
2,6-diamino-4-(3,4-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-(3,4-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8008-2102 |
| Compound Name: | 2,6-diamino-4-(3,4-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile |
| Molecular Weight: | 314.36 |
| Molecular Formula: | C15 H14 N4 O2 S |
| Smiles: | COc1ccc(cc1OC)C1C(C#N)=C(N)SC(=C1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 1.146 |
| logD: | 1.146 |
| logSw: | -2.1107 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 89.683 |
| InChI Key: | PVSHQHZHTSCVJJ-UHFFFAOYSA-N |