2,6-diamino-4-(5-bromo-2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Chemical Structure Depiction of
2,6-diamino-4-(5-bromo-2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-(5-bromo-2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8002-2642 |
| Compound Name: | 2,6-diamino-4-(5-bromo-2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile |
| Molecular Weight: | 363.23 |
| Molecular Formula: | C14 H11 Br N4 O S |
| Smiles: | COc1ccc(cc1C1C(C#N)=C(N)SC(=C1C#N)N)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.5752 |
| logD: | 2.5752 |
| logSw: | -2.8521 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 82.052 |
| InChI Key: | UJPRYUAPCSPYLO-UHFFFAOYSA-N |