2-(3-chlorophenyl)-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-(3-chlorophenyl)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
2-(3-chlorophenyl)-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: | SB32-0192 |
Compound Name: | 2-(3-chlorophenyl)-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one |
Molecular Weight: | 348.83 |
Molecular Formula: | C17 H21 Cl N4 O2 |
Smiles: | Cc1nc([C@@H]2CN(C[C@H]2COC)C(Cc2cccc(c2)[Cl])=O)[nH]n1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 2.1486 |
logD: | 2.1481 |
logSw: | -3.085 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.414 |
InChI Key: | DRPRECVTHVNRLA-DZGCQCFKSA-N |