ethyl 4-{[8-(4-{[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
Chemical Structure Depiction of
ethyl 4-{[8-(4-{[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
ethyl 4-{[8-(4-{[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
Compound characteristics
| Compound ID: | V031-2436 |
| Compound Name: | ethyl 4-{[8-(4-{[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate |
| Molecular Weight: | 603.72 |
| Molecular Formula: | C31 H29 N3 O6 S2 |
| Salt: | not_available |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2nc3ccc(cc3s2)[N+]([O-])=O)cc1)=O)Oc1ccc(cc1)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1595 |
| logD: | 5.1595 |
| logSw: | -5.0708 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.965 |
| InChI Key: | BIFNSUIDVQYOIV-UHFFFAOYSA-N |