ethyl 5-[(4-bromo-1-ethyl-1H-pyrazole-3-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 5-[(4-bromo-1-ethyl-1H-pyrazole-3-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
ethyl 5-[(4-bromo-1-ethyl-1H-pyrazole-3-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y500-8000 |
| Compound Name: | ethyl 5-[(4-bromo-1-ethyl-1H-pyrazole-3-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate |
| Molecular Weight: | 411.27 |
| Molecular Formula: | C15 H15 Br N4 O3 S |
| Smiles: | CCn1cc(c(C(Nc2c(C#N)c(C)c(C(=O)OCC)s2)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.6519 |
| logD: | 0.0953 |
| logSw: | -2.8536 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.982 |
| InChI Key: | BZULWZGAXVOGBQ-UHFFFAOYSA-N |