2,6-diamino-4-(2,4,6-trimethyl-3-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
Chemical Structure Depiction of
2,6-diamino-4-(2,4,6-trimethyl-3-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-(2,4,6-trimethyl-3-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-8104 |
| Compound Name: | 2,6-diamino-4-(2,4,6-trimethyl-3-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile |
| Molecular Weight: | 341.39 |
| Molecular Formula: | C16 H15 N5 O2 S |
| Smiles: | Cc1cc(C)c(c(C)c1C1C(C#N)=C(N)SC(=C1C#N)N)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0035 |
| logD: | 3.0035 |
| logSw: | -3.2661 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 107.202 |
| InChI Key: | QMUSLDOBOBQBEP-UHFFFAOYSA-N |