methyl [(2RS)-1-{(2RS)-2-[5-([2,2'-bithiophen]-5-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl [(2RS)-1-{(2RS)-2-[5-([2,2'-bithiophen]-5-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate--hydrogen chloride (1/1)
methyl [(2RS)-1-{(2RS)-2-[5-([2,2'-bithiophen]-5-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | H027-4013C |
| Compound Name: | methyl [(2RS)-1-{(2RS)-2-[5-([2,2'-bithiophen]-5-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate--hydrogen chloride (1/1) |
| Molecular Weight: | 495.06 |
| Molecular Formula: | C22 H26 N4 O3 S2 |
| Salt: | HCl |
| Smiles: | CC(C)[C@@H](C(N1CCC[C@H]1c1ncc(c2ccc(c3cccs3)s2)[nH]1)=O)NC(=O)OC |
| Stereo: | ABSOLUTE |
| logP: | 4.2876 |
| logD: | 4.1359 |
| logSw: | -3.9919 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.09 |
| InChI Key: | LLTMPSKKFRXGBF-KXBFYZLASA-N |