3-{[8-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
Chemical Structure Depiction of
3-{[8-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
3-{[8-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
Compound characteristics
| Compound ID: | V006-5789 |
| Compound Name: | 3-{[8-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile |
| Molecular Weight: | 511.66 |
| Molecular Formula: | C29 H25 N3 O2 S2 |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2nc3ccccc3s2)cc1)=O)Oc1cccc(C#N)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2539 |
| logD: | 4.2539 |
| logSw: | -4.435 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.887 |
| InChI Key: | SWHOGWQTDWVVRL-UHFFFAOYSA-N |