2,6-diamino-4-(4-hydroxy-3-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Chemical Structure Depiction of
2,6-diamino-4-(4-hydroxy-3-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-(4-hydroxy-3-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8009-1528 |
| Compound Name: | 2,6-diamino-4-(4-hydroxy-3-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile |
| Molecular Weight: | 300.34 |
| Molecular Formula: | C14 H12 N4 O2 S |
| Smiles: | COc1cc(ccc1O)C1C(C#N)=C(N)SC(=C1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 0.7291 |
| logD: | 0.7287 |
| logSw: | -1.7417 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 98.601 |
| InChI Key: | DHYHCGKDZLCHFN-UHFFFAOYSA-N |