ethyl 4-{[8-(4-{[(5-nitropyridin-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
Chemical Structure Depiction of
ethyl 4-{[8-(4-{[(5-nitropyridin-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
ethyl 4-{[8-(4-{[(5-nitropyridin-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
Compound characteristics
| Compound ID: | V006-6923 |
| Compound Name: | ethyl 4-{[8-(4-{[(5-nitropyridin-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate |
| Molecular Weight: | 547.63 |
| Molecular Formula: | C29 H29 N3 O6 S |
| Salt: | not_available |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2ccc(cn2)[N+]([O-])=O)cc1)=O)Oc1ccc(cc1)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7262 |
| logD: | 3.7262 |
| logSw: | -3.7786 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.382 |
| InChI Key: | BCYLQPCDEQUQLE-UHFFFAOYSA-N |