{3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}[4-({[(2-chlorophenyl)methyl]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-chlorophenyl)methyl]sulfanyl}methyl)phenyl]methanone
{3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}[4-({[(2-chlorophenyl)methyl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V001-6395 |
| Compound Name: | {3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}[4-({[(2-chlorophenyl)methyl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 522.06 |
| Molecular Formula: | C29 H28 Cl N O4 S |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSCc2ccccc2[Cl])cc1)=O)Oc1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6568 |
| logD: | 4.6568 |
| logSw: | -4.9887 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.864 |
| InChI Key: | MIYUQJNBHHOJJB-UHFFFAOYSA-N |