ethyl 4-({8-[4-({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzoate
Chemical Structure Depiction of
ethyl 4-({8-[4-({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzoate
ethyl 4-({8-[4-({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzoate
Compound characteristics
| Compound ID: | V001-5190 |
| Compound Name: | ethyl 4-({8-[4-({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)benzoyl]-8-azabicyclo[3.2.1]octan-3-yl}oxy)benzoate |
| Molecular Weight: | 570.63 |
| Molecular Formula: | C30 H29 F3 N2 O4 S |
| Salt: | not_available |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2ccc(cn2)C(F)(F)F)cc1)=O)Oc1ccc(cc1)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5489 |
| logD: | 4.5489 |
| logSw: | -4.1839 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.001 |
| InChI Key: | DGEBLFKFCGQWII-UHFFFAOYSA-N |