3-({8-[4-({[4-(methylsulfanyl)phenyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile
Chemical Structure Depiction of
3-({8-[4-({[4-(methylsulfanyl)phenyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile
3-({8-[4-({[4-(methylsulfanyl)phenyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile
Compound characteristics
| Compound ID: | V006-8444 |
| Compound Name: | 3-({8-[4-({[4-(methylsulfanyl)phenyl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzonitrile |
| Molecular Weight: | 500.68 |
| Molecular Formula: | C29 H28 N2 O2 S2 |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2ccc(cc2)SC)cc1)=O)Oc1cccc(C#N)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.281 |
| logD: | 4.281 |
| logSw: | -4.3284 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.805 |
| InChI Key: | KGGQGJGXAQUNRN-UHFFFAOYSA-N |