methyl 2-{[(4-{3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]sulfanyl}benzoate
Chemical Structure Depiction of
methyl 2-{[(4-{3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]sulfanyl}benzoate
methyl 2-{[(4-{3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]sulfanyl}benzoate
Compound characteristics
| Compound ID: | V008-4502 |
| Compound Name: | methyl 2-{[(4-{3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]sulfanyl}benzoate |
| Molecular Weight: | 529.7 |
| Molecular Formula: | C32 H35 N O4 S |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2ccccc2C(=O)OC)cc1)=O)Oc1ccccc1C(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7693 |
| logD: | 4.7693 |
| logSw: | -4.6055 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.009 |
| InChI Key: | IKTMHPIYIFYKNG-UHFFFAOYSA-N |