methyl {(2RS)-1-[(2RS)-2-(5-ethynyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate
Chemical Structure Depiction of
methyl {(2RS)-1-[(2RS)-2-(5-ethynyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate
methyl {(2RS)-1-[(2RS)-2-(5-ethynyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate
Compound characteristics
| Compound ID: | H027-4082 |
| Compound Name: | methyl {(2RS)-1-[(2RS)-2-(5-ethynyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C16 H22 N4 O3 |
| Smiles: | CC(C)[C@@H](C(N1CCC[C@H]1c1ncc(C#C)[nH]1)=O)NC(=O)OC |
| Stereo: | ABSOLUTE |
| logP: | 0.8676 |
| logD: | 0.8669 |
| logSw: | -1.6616 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.091 |
| InChI Key: | NIIVIQPQFFPQAW-STQMWFEESA-N |