2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Chemical Structure Depiction of
2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 0655-0275 |
| Compound Name: | 2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile |
| Molecular Weight: | 284.34 |
| Molecular Formula: | C14 H12 N4 O S |
| Smiles: | COc1ccccc1C1C(C#N)=C(N)SC(=C1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 1.6981 |
| logD: | 1.6981 |
| logSw: | -2.0163 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 82.052 |
| InChI Key: | KTCJWBXMBLYHNZ-UHFFFAOYSA-N |