2-methyl 4-propyl 5-[3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-enamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
2-methyl 4-propyl 5-[3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-enamido]-3-methylthiophene-2,4-dicarboxylate
2-methyl 4-propyl 5-[3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-enamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | Y509-0196 |
| Compound Name: | 2-methyl 4-propyl 5-[3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-enamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C20 H25 N3 O5 S |
| Smiles: | CCCOC(c1c(C)c(C(=O)OC)sc1NC(/C=C/c1cnn(CC)c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2663 |
| logD: | 1.8629 |
| logSw: | -3.3832 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.057 |
| InChI Key: | BCKQYAWUPASRMO-UHFFFAOYSA-N |