ethyl 4-{[8-(4-{[(7-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
Chemical Structure Depiction of
ethyl 4-{[8-(4-{[(7-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
ethyl 4-{[8-(4-{[(7-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
Compound characteristics
| Compound ID: | V008-4547 |
| Compound Name: | ethyl 4-{[8-(4-{[(7-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate |
| Molecular Weight: | 577.1 |
| Molecular Formula: | C31 H29 Cl N2 O5 S |
| Smiles: | [H]C1(CC2CCC(C1)N2C(c1ccc(CSc2nc3cccc(c3o2)[Cl])cc1)=O)Oc1ccc(cc1)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0556 |
| logD: | 5.0556 |
| logSw: | -5.2954 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.399 |
| InChI Key: | FFHQDQJJNYWTGL-UHFFFAOYSA-N |