2,6-diamino-4-(4-chloro-3-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
Chemical Structure Depiction of
2,6-diamino-4-(4-chloro-3-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-(4-chloro-3-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8002-7066 |
| Compound Name: | 2,6-diamino-4-(4-chloro-3-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile |
| Molecular Weight: | 333.75 |
| Molecular Formula: | C13 H8 Cl N5 O2 S |
| Smiles: | C(C1C(C(C#N)=C(N)SC=1N)c1ccc(c(c1)[N+]([O-])=O)[Cl])#N |
| Stereo: | ACHIRAL |
| logP: | 1.7516 |
| logD: | 1.7516 |
| logSw: | -2.7892 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 107.503 |
| InChI Key: | XQMVIUCNHPKLJU-UHFFFAOYSA-N |