{3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}(4-{[(2,4-dichlorophenyl)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-{[(2,4-dichlorophenyl)sulfanyl]methyl}phenyl)methanone
{3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}(4-{[(2,4-dichlorophenyl)sulfanyl]methyl}phenyl)methanone
Compound characteristics
| Compound ID: | V008-4550 |
| Compound Name: | {3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}(4-{[(2,4-dichlorophenyl)sulfanyl]methyl}phenyl)methanone |
| Molecular Weight: | 542.48 |
| Molecular Formula: | C28 H25 Cl2 N O4 S |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2ccc(cc2[Cl])[Cl])cc1)=O)Oc1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6487 |
| logD: | 4.6487 |
| logSw: | -4.9017 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.864 |
| InChI Key: | XRYNPPJKTPMJBJ-UHFFFAOYSA-N |