(4-{[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl){3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl}methanone
Chemical Structure Depiction of
(4-{[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl){3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl}methanone
(4-{[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl){3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl}methanone
Compound characteristics
| Compound ID: | V031-2412 |
| Compound Name: | (4-{[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]methyl}phenyl){3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl}methanone |
| Molecular Weight: | 573.73 |
| Molecular Formula: | C31 H31 N3 O4 S2 |
| Salt: | not_available |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2nc3ccc(cc3s2)[N+]([O-])=O)cc1)=O)Oc1ccccc1C(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7197 |
| logD: | 5.7197 |
| logSw: | -5.4657 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.298 |
| InChI Key: | HRNJRZVMJWLTAN-UHFFFAOYSA-N |