diethyl 5-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
Compound ID: | 8018-2522 |
Compound Name: | diethyl 5-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-3-methylthiophene-2,4-dicarboxylate |
Molecular Weight: | 427.91 |
Molecular Formula: | C18 H22 Cl N3 O5 S |
Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(Cn1c(C)c(c(C)n1)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.9556 |
logD: | 0.7867 |
logSw: | -4.0791 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.971 |
InChI Key: | HLUQHLHKASLTPI-UHFFFAOYSA-N |