3-{[8-(4-{[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
Chemical Structure Depiction of
3-{[8-(4-{[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
3-{[8-(4-{[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
Compound characteristics
| Compound ID: | V001-5144 |
| Compound Name: | 3-{[8-(4-{[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile |
| Molecular Weight: | 537.7 |
| Molecular Formula: | C31 H27 N3 O2 S2 |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2nc(cs2)c2ccccc2)cc1)=O)Oc1cccc(C#N)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9163 |
| logD: | 4.9163 |
| logSw: | -5.0182 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.9 |
| InChI Key: | GUBXGQAJNXNNTI-UHFFFAOYSA-N |