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 2-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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: | Y500-8183 |
| Compound Name: | ethyl 2-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 359.45 |
| Molecular Formula: | C18 H21 N3 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(/C=C/c1cnn(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8974 |
| logD: | 0.6108 |
| logSw: | -3.2866 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.394 |
| InChI Key: | BBCNMYUMIRAUGP-UHFFFAOYSA-N |