ethyl 5-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}-4-cyano-3-methylthiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 5-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}-4-cyano-3-methylthiophene-2-carboxylate
ethyl 5-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}-4-cyano-3-methylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y508-6084 |
| Compound Name: | ethyl 5-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzamido}-4-cyano-3-methylthiophene-2-carboxylate |
| Molecular Weight: | 473.35 |
| Molecular Formula: | C20 H17 Br N4 O3 S |
| Smiles: | CCOC(c1c(C)c(C#N)c(NC(c2cccc(Cn3cc(cn3)[Br])c2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6068 |
| logD: | 0.6422 |
| logSw: | -3.851 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.439 |
| InChI Key: | XVTYJPRVWJGQRX-UHFFFAOYSA-N |