ethyl 4-{[8-(4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
Chemical Structure Depiction of
ethyl 4-{[8-(4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
ethyl 4-{[8-(4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
Compound characteristics
| Compound ID: | V007-0504 |
| Compound Name: | ethyl 4-{[8-(4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate |
| Molecular Weight: | 569.68 |
| Molecular Formula: | C31 H31 N5 O4 S |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2nnnn2c2ccccc2)cc1)=O)Oc1ccc(cc1)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8411 |
| logD: | 3.8411 |
| logSw: | -3.8504 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.424 |
| InChI Key: | JDICETCFTQRHAG-UHFFFAOYSA-N |