methyl 2-[3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-8071 |
| Compound Name: | methyl 2-[3-(1,5-dimethyl-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: | Cc1c(/C=C/C(Nc2c(C(=O)OC)c3CCCCc3s2)=O)cnn1C |
| Stereo: | ACHIRAL |
| logP: | 2.877 |
| logD: | 1.3008 |
| logSw: | -3.3256 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.491 |
| InChI Key: | VUIUMXPGRJXTRI-UHFFFAOYSA-N |