2,6-diamino-4-(3,4-dimethoxy-2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
Chemical Structure Depiction of
2,6-diamino-4-(3,4-dimethoxy-2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-(3,4-dimethoxy-2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8001-1549 |
| Compound Name: | 2,6-diamino-4-(3,4-dimethoxy-2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile |
| Molecular Weight: | 359.36 |
| Molecular Formula: | C15 H13 N5 O4 S |
| Smiles: | [H][C@]1(C(C#N)=C(N)SC(=C1C#N)N)c1ccc(c(c1[N+]([O-])=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 1.6167 |
| logD: | 1.6167 |
| logSw: | -2.0749 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 122.549 |
| InChI Key: | WNNKJEAPHLOFJI-UHFFFAOYSA-N |