3-({8-[4-({[(2-chlorophenyl)methyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile
Chemical Structure Depiction of
3-({8-[4-({[(2-chlorophenyl)methyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile
3-({8-[4-({[(2-chlorophenyl)methyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile
Compound characteristics
| Compound ID: | V006-5832 |
| Compound Name: | 3-({8-[4-({[(2-chlorophenyl)methyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile |
| Molecular Weight: | 503.06 |
| Molecular Formula: | C29 H27 Cl N2 O2 S |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSCc2ccccc2[Cl])cc1)=O)Oc1cccc(C#N)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5618 |
| logD: | 4.5618 |
| logSw: | -4.5973 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.805 |
| InChI Key: | AMPQOSCZLUTERT-UHFFFAOYSA-N |