ethyl 4-{[8-(4-{[(4-tert-butylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
Chemical Structure Depiction of
ethyl 4-{[8-(4-{[(4-tert-butylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
ethyl 4-{[8-(4-{[(4-tert-butylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
Compound characteristics
| Compound ID: | V004-7524 |
| Compound Name: | ethyl 4-{[8-(4-{[(4-tert-butylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate |
| Molecular Weight: | 557.75 |
| Molecular Formula: | C34 H39 N O4 S |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2ccc(cc2)C(C)(C)C)cc1)=O)Oc1ccc(cc1)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.369 |
| logD: | 6.369 |
| logSw: | -5.5726 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.502 |
| InChI Key: | HIGOGXSEXFKQCJ-UHFFFAOYSA-N |