propyl 2-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propyl 2-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-7928 |
| Compound Name: | propyl 2-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 373.47 |
| Molecular Formula: | C19 H23 N3 O3 S |
| Smiles: | CCCOC(c1c2CCCCc2sc1NC(/C=C/c1cnn(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4092 |
| logD: | 1.1226 |
| logSw: | -3.8138 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.688 |
| InChI Key: | KSFRUUCPYOOCDW-UHFFFAOYSA-N |