3-(4-bromo-1H-pyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide
Chemical Structure Depiction of
3-(4-bromo-1H-pyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide
3-(4-bromo-1H-pyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide
Compound characteristics
| Compound ID: | Y502-4737 |
| Compound Name: | 3-(4-bromo-1H-pyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide |
| Molecular Weight: | 449.41 |
| Molecular Formula: | C20 H25 Br N4 O S |
| Smiles: | CC(Cn1cc(cn1)[Br])C(Nc1c(C#N)c2CCC(Cc2s1)C(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8369 |
| logD: | 3.0778 |
| logSw: | -4.5432 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.878 |
| InChI Key: | ZXFJQVARNFMMEO-UHFFFAOYSA-N |