ethyl 6-ethyl-2-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-ethyl-2-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-ethyl-2-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-7935 |
| Compound Name: | ethyl 6-ethyl-2-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C20 H25 N3 O3 S |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(/C=C/c3cnn(C)c3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8769 |
| logD: | 1.5902 |
| logSw: | -4.262 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.394 |
| InChI Key: | WYMWPGBGEPFPQB-CYBMUJFWSA-N |