{3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}(4-{[(3,4-dimethoxyphenyl)sulfanyl]methyl}phenyl)methanone
Chemical Structure Depiction of
{3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}(4-{[(3,4-dimethoxyphenyl)sulfanyl]methyl}phenyl)methanone
{3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}(4-{[(3,4-dimethoxyphenyl)sulfanyl]methyl}phenyl)methanone
Compound characteristics
| Compound ID: | V004-5809 |
| Compound Name: | {3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}(4-{[(3,4-dimethoxyphenyl)sulfanyl]methyl}phenyl)methanone |
| Molecular Weight: | 533.64 |
| Molecular Formula: | C30 H31 N O6 S |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2ccc(c(c2)OC)OC)cc1)=O)Oc1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1345 |
| logD: | 3.1345 |
| logSw: | -3.3477 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.125 |
| InChI Key: | BQVALIKBBULPGE-UHFFFAOYSA-N |