3-{[8-(4-{[(3,4-dimethoxyphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
Chemical Structure Depiction of
3-{[8-(4-{[(3,4-dimethoxyphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
3-{[8-(4-{[(3,4-dimethoxyphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
Compound characteristics
| Compound ID: | V006-5848 |
| Compound Name: | 3-{[8-(4-{[(3,4-dimethoxyphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile |
| Molecular Weight: | 514.64 |
| Molecular Formula: | C30 H30 N2 O4 S |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2ccc(c(c2)OC)OC)cc1)=O)Oc1cccc(C#N)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0395 |
| logD: | 3.0395 |
| logSw: | -3.2304 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.066 |
| InChI Key: | JPNYVUGGVRWPNU-UHFFFAOYSA-N |