methyl N-[2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]glycinate
Chemical Structure Depiction of
methyl N-[2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]glycinate
methyl N-[2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]glycinate
Compound characteristics
Compound ID: | D314-0256 |
Compound Name: | methyl N-[2-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]glycinate |
Molecular Weight: | 398.48 |
Molecular Formula: | C20 H22 N4 O3 S |
Smiles: | Cc1c(C(NCC(=O)OC)=O)sc(n1)n1c(C)c(Cc2ccccc2)c(C)n1 |
Stereo: | ACHIRAL |
logP: | 3.0677 |
logD: | 3.0613 |
logSw: | -3.3881 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.046 |
InChI Key: | NSFRXIBOZMYZLC-UHFFFAOYSA-N |