{3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}[4-({[4-(4-methoxyphenyl)pyrimidin-2-yl]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-({[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}methyl)phenyl]methanone
{3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}[4-({[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V001-6384 |
| Compound Name: | {3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-azabicyclo[3.2.1]octan-8-yl}[4-({[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 581.69 |
| Molecular Formula: | C33 H31 N3 O5 S |
| Salt: | not_available |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2nccc(c3ccc(cc3)OC)n2)cc1)=O)Oc1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3057 |
| logD: | 4.3057 |
| logSw: | -4.4272 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.862 |
| InChI Key: | RMSACNYBHWXQEB-UHFFFAOYSA-N |