ethyl 6-[({4-[3-(2-chloro-5-methylphenoxy)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl}methyl)sulfanyl]-5-cyano-2-methylpyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-[({4-[3-(2-chloro-5-methylphenoxy)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl}methyl)sulfanyl]-5-cyano-2-methylpyridine-3-carboxylate
ethyl 6-[({4-[3-(2-chloro-5-methylphenoxy)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl}methyl)sulfanyl]-5-cyano-2-methylpyridine-3-carboxylate
Compound characteristics
| Compound ID: | V008-4488 |
| Compound Name: | ethyl 6-[({4-[3-(2-chloro-5-methylphenoxy)-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl}methyl)sulfanyl]-5-cyano-2-methylpyridine-3-carboxylate |
| Molecular Weight: | 590.14 |
| Molecular Formula: | C32 H32 Cl N3 O4 S |
| Salt: | not_available |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2c(C#N)cc(C(=O)OCC)c(C)n2)cc1)=O)Oc1cc(C)ccc1[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1478 |
| logD: | 5.1478 |
| logSw: | -5.3869 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.969 |
| InChI Key: | WWSDOOVMXGOHRQ-UHFFFAOYSA-N |