{3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}{4-[(phenylsulfanyl)methyl]phenyl}methanone
Chemical Structure Depiction of
{3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}{4-[(phenylsulfanyl)methyl]phenyl}methanone
{3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}{4-[(phenylsulfanyl)methyl]phenyl}methanone
Compound characteristics
| Compound ID: | V006-8455 |
| Compound Name: | {3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}{4-[(phenylsulfanyl)methyl]phenyl}methanone |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C28 H27 N O4 S |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2ccccc2)cc1)=O)Oc1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4717 |
| logD: | 3.4717 |
| logSw: | -3.7762 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.864 |
| InChI Key: | SIBVQJFZSKOTIU-UHFFFAOYSA-N |