3'-(benzylsulfanyl)-5'-butanamido-2',6'-dicyano[1,1'-biphenyl]-4-yl butanoate
Chemical Structure Depiction of
3'-(benzylsulfanyl)-5'-butanamido-2',6'-dicyano[1,1'-biphenyl]-4-yl butanoate
3'-(benzylsulfanyl)-5'-butanamido-2',6'-dicyano[1,1'-biphenyl]-4-yl butanoate
Compound characteristics
| Compound ID: | 8012-5643 |
| Compound Name: | 3'-(benzylsulfanyl)-5'-butanamido-2',6'-dicyano[1,1'-biphenyl]-4-yl butanoate |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C29 H27 N3 O3 S |
| Smiles: | CCCC(Nc1cc(c(C#N)c(c2ccc(cc2)OC(CCC)=O)c1C#N)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8073 |
| logD: | 5.7869 |
| logSw: | -5.5412 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.314 |
| InChI Key: | RAPSXNAZQFSNJK-UHFFFAOYSA-N |