ethyl 4-{[8-(4-{[(3,5-dimethylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
Chemical Structure Depiction of
ethyl 4-{[8-(4-{[(3,5-dimethylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
ethyl 4-{[8-(4-{[(3,5-dimethylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
Compound characteristics
| Compound ID: | V004-7533 |
| Compound Name: | ethyl 4-{[8-(4-{[(3,5-dimethylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate |
| Molecular Weight: | 529.7 |
| Molecular Formula: | C32 H35 N O4 S |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2cc(C)cc(C)c2)cc1)=O)Oc1ccc(cc1)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2615 |
| logD: | 5.2615 |
| logSw: | -5.1216 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.502 |
| InChI Key: | JVSMPCIPLYUWDO-UHFFFAOYSA-N |