dimethyl {[1,1'-biphenyl]-4,4'-diylbis[1H-imidazole-5,2-diyl-(2RS)-pyrrolidine-2,1-diylcarbonyl-(3SR)-oxolane-3,3-diyl]}biscarbamate--hydrogen chloride (1/2)
Chemical Structure Depiction of
dimethyl {[1,1'-biphenyl]-4,4'-diylbis[1H-imidazole-5,2-diyl-(2RS)-pyrrolidine-2,1-diylcarbonyl-(3SR)-oxolane-3,3-diyl]}biscarbamate--hydrogen chloride (1/2)
dimethyl {[1,1'-biphenyl]-4,4'-diylbis[1H-imidazole-5,2-diyl-(2RS)-pyrrolidine-2,1-diylcarbonyl-(3SR)-oxolane-3,3-diyl]}biscarbamate--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | H027-4036C |
| Compound Name: | dimethyl {[1,1'-biphenyl]-4,4'-diylbis[1H-imidazole-5,2-diyl-(2RS)-pyrrolidine-2,1-diylcarbonyl-(3SR)-oxolane-3,3-diyl]}biscarbamate--hydrogen chloride (1/2) |
| Molecular Weight: | 839.78 |
| Molecular Formula: | C40 H46 N8 O8 |
| Salt: | 2HCl |
| Smiles: | COC(N[C@@]1(CCOC1)C(N1CCC[C@H]1c1ncc(c2ccc(cc2)c2ccc(cc2)c2cnc([C@@H]3CCCN3C([C@]3(CCOC3)NC(=O)OC)=O)[nH]2)[nH]1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.625 |
| logD: | 2.6132 |
| logSw: | -2.9679 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 155.965 |
| InChI Key: | XSIBSSYPFDDNFN-ZLBAHODBSA-N |