2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
Chemical Structure Depiction of
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
Compound characteristics
| Compound ID: | Y508-9953 |
| Compound Name: | 2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide |
| Molecular Weight: | 449.41 |
| Molecular Formula: | C20 H25 Br N4 O S |
| Smiles: | CC(C(Nc1c(C#N)c2CCC(Cc2s1)C(C)(C)C)=O)n1cc(c(C)n1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.641 |
| logD: | 3.2338 |
| logSw: | -4.3807 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.035 |
| InChI Key: | BYNAUSKQQZFGOL-UHFFFAOYSA-N |