2,6-diamino-4-(2-bromophenyl)-4H-thiopyran-3,5-dicarbonitrile
Chemical Structure Depiction of
2,6-diamino-4-(2-bromophenyl)-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-(2-bromophenyl)-4H-thiopyran-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 4729-0423 |
| Compound Name: | 2,6-diamino-4-(2-bromophenyl)-4H-thiopyran-3,5-dicarbonitrile |
| Molecular Weight: | 333.21 |
| Molecular Formula: | C13 H9 Br N4 S |
| Smiles: | C(C1C(C(C#N)=C(N)SC=1N)c1ccccc1[Br])#N |
| Stereo: | ACHIRAL |
| logP: | 2.2541 |
| logD: | 2.2541 |
| logSw: | -2.1843 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 74.422 |
| InChI Key: | LCVQSOCBGGCXKQ-UHFFFAOYSA-N |