ethyl 5-cyano-6-[({4-[3-(3-cyanophenoxy)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl}methyl)sulfanyl]-2-methylpyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-6-[({4-[3-(3-cyanophenoxy)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl}methyl)sulfanyl]-2-methylpyridine-3-carboxylate
ethyl 5-cyano-6-[({4-[3-(3-cyanophenoxy)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl}methyl)sulfanyl]-2-methylpyridine-3-carboxylate
Compound characteristics
| Compound ID: | V006-8468 |
| Compound Name: | ethyl 5-cyano-6-[({4-[3-(3-cyanophenoxy)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl}methyl)sulfanyl]-2-methylpyridine-3-carboxylate |
| Molecular Weight: | 566.68 |
| Molecular Formula: | C32 H30 N4 O4 S |
| Salt: | not_available |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2c(C#N)cc(C(=O)OCC)c(C)n2)cc1)=O)Oc1cccc(C#N)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6744 |
| logD: | 3.6744 |
| logSw: | -3.9262 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.939 |
| InChI Key: | ZDZNLYQYIKCWRI-UHFFFAOYSA-N |