4-bromo-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-ethyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-bromo-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-ethyl-1H-pyrazole-5-carboxamide
4-bromo-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-ethyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y508-9229 |
| Compound Name: | 4-bromo-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-ethyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 449.41 |
| Molecular Formula: | C20 H25 Br N4 O S |
| Smiles: | CCC(C)(C)C1CCc2c(C#N)c(NC(c3c(cnn3CC)[Br])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7708 |
| logD: | 1.1782 |
| logSw: | -4.4735 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.055 |
| InChI Key: | KEHRIDXLPHRIIU-GFCCVEGCSA-N |