2,6-diamino-4-[4-(benzyloxy)phenyl]-4H-thiopyran-3,5-dicarbonitrile
Chemical Structure Depiction of
2,6-diamino-4-[4-(benzyloxy)phenyl]-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-[4-(benzyloxy)phenyl]-4H-thiopyran-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8003-3609 |
| Compound Name: | 2,6-diamino-4-[4-(benzyloxy)phenyl]-4H-thiopyran-3,5-dicarbonitrile |
| Molecular Weight: | 360.44 |
| Molecular Formula: | C20 H16 N4 O S |
| Smiles: | C(c1ccccc1)Oc1ccc(cc1)C1C(C#N)=C(N)SC(=C1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 2.9055 |
| logD: | 2.9055 |
| logSw: | -3.2985 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 81.65 |
| InChI Key: | VAFMJDITFJPXBL-UHFFFAOYSA-N |