4-(2,6-diamino-3,5-dicyano-4H-thiopyran-4-yl)phenyl acetate
Chemical Structure Depiction of
4-(2,6-diamino-3,5-dicyano-4H-thiopyran-4-yl)phenyl acetate
4-(2,6-diamino-3,5-dicyano-4H-thiopyran-4-yl)phenyl acetate
Compound characteristics
| Compound ID: | 0655-0268 |
| Compound Name: | 4-(2,6-diamino-3,5-dicyano-4H-thiopyran-4-yl)phenyl acetate |
| Molecular Weight: | 312.35 |
| Molecular Formula: | C15 H12 N4 O2 S |
| Smiles: | CC(=O)Oc1ccc(cc1)C1C(C#N)=C(N)SC(=C1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 0.9704 |
| logD: | 0.9704 |
| logSw: | -1.9738 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 95.173 |
| InChI Key: | NTIPTWGONIRYNT-UHFFFAOYSA-N |