{3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}(4-{[(2,6-dimethylphenyl)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-{[(2,6-dimethylphenyl)sulfanyl]methyl}phenyl)methanone
{3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}(4-{[(2,6-dimethylphenyl)sulfanyl]methyl}phenyl)methanone
Compound characteristics
| Compound ID: | V004-5471 |
| Compound Name: | {3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}(4-{[(2,6-dimethylphenyl)sulfanyl]methyl}phenyl)methanone |
| Molecular Weight: | 501.64 |
| Molecular Formula: | C30 H31 N O4 S |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2c(C)cccc2C)cc1)=O)Oc1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3131 |
| logD: | 4.3131 |
| logSw: | -4.3898 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.864 |
| InChI Key: | RCOZUQSYABXFKO-UHFFFAOYSA-N |