3-{[8-(4-{[(6-nitro-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-{[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
3-{[8-(4-{[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile
Compound characteristics
| Compound ID: | V031-2424 |
| Compound Name: | 3-{[8-(4-{[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzonitrile |
| Molecular Weight: | 556.66 |
| Molecular Formula: | C29 H24 N4 O4 S2 |
| Salt: | not_available |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2nc3ccc(cc3s2)[N+]([O-])=O)cc1)=O)Oc1cccc(C#N)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1467 |
| logD: | 4.1467 |
| logSw: | -4.4127 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.268 |
| InChI Key: | ZPIZWKGGFRGFRM-UHFFFAOYSA-N |