3-{[8-(4-{[(quinolin-8-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
Chemical Structure Depiction of
3-{[8-(4-{[(quinolin-8-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
3-{[8-(4-{[(quinolin-8-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
Compound characteristics
| Compound ID: | V008-6266 |
| Compound Name: | 3-{[8-(4-{[(quinolin-8-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C31 H27 N3 O2 S |
| Salt: | not_available |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2cccc3cccnc23)cc1)=O)Oc1cccc(C#N)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.28 |
| logD: | 3.2793 |
| logSw: | -3.3424 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.338 |
| InChI Key: | XGZQEZONOWJYMZ-UHFFFAOYSA-N |