propan-2-yl 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
propan-2-yl 2-[3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 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: | Y500-8180 |
| Compound Name: | propan-2-yl 2-[3-(1,5-dimethyl-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: | CC(C)OC(c1c2CCCCc2sc1NC(/C=C/c1cnn(C)c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7696 |
| logD: | 2.1933 |
| logSw: | -4.1887 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.75 |
| InChI Key: | TVXBMWZHYNAGFU-UHFFFAOYSA-N |