2,6-diamino-4-(3,4,5-trimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Chemical Structure Depiction of
2,6-diamino-4-(3,4,5-trimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-(3,4,5-trimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8008-1787 |
| Compound Name: | 2,6-diamino-4-(3,4,5-trimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C16 H16 N4 O3 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1C(C#N)=C(N)SC(=C1C#N)N |
| Stereo: | ACHIRAL |
| logP: | 1.2901 |
| logD: | 1.2901 |
| logSw: | -1.8025 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 97.4 |
| InChI Key: | BLTYMNUOXQGXAI-UHFFFAOYSA-N |