3-{[8-(4-{[(3,4-dimethylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
Chemical Structure Depiction of
3-{[8-(4-{[(3,4-dimethylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
3-{[8-(4-{[(3,4-dimethylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
Compound characteristics
| Compound ID: | V004-5458 |
| Compound Name: | 3-{[8-(4-{[(3,4-dimethylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile |
| Molecular Weight: | 482.64 |
| Molecular Formula: | C30 H30 N2 O2 S |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2ccc(C)c(C)c2)cc1)=O)Oc1cccc(C#N)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4582 |
| logD: | 4.4582 |
| logSw: | -4.326 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.805 |
| InChI Key: | AJIGGQUCDQBDSU-UHFFFAOYSA-N |