methyl {(2RS)-3-methyl-1-oxo-1-[(2RS)-2-(5-phenyl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl}carbamate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl {(2RS)-3-methyl-1-oxo-1-[(2RS)-2-(5-phenyl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl}carbamate--hydrogen chloride (1/1)
methyl {(2RS)-3-methyl-1-oxo-1-[(2RS)-2-(5-phenyl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl}carbamate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | H027-4008C |
| Compound Name: | methyl {(2RS)-3-methyl-1-oxo-1-[(2RS)-2-(5-phenyl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl}carbamate--hydrogen chloride (1/1) |
| Molecular Weight: | 406.91 |
| Molecular Formula: | C20 H26 N4 O3 |
| Salt: | HCl |
| Smiles: | CC(C)[C@@H](C(N1CCC[C@H]1c1ncc(c2ccccc2)[nH]1)=O)NC(=O)OC |
| Stereo: | ABSOLUTE |
| logP: | 2.3265 |
| logD: | 2.3025 |
| logSw: | -2.4832 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.325 |
| InChI Key: | ZDMZQYQKOCLRFD-IRXDYDNUSA-N |