2-cyclohexyl-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-cyclohexyl-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
2-cyclohexyl-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB32-1036 |
| Compound Name: | 2-cyclohexyl-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 320.43 |
| Molecular Formula: | C17 H28 N4 O2 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2COC)C(CC2CCCCC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1988 |
| logD: | 2.1982 |
| logSw: | -2.7823 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.606 |
| InChI Key: | GIOLPSOCAWPRMZ-LSDHHAIUSA-N |