3-(4-bromo-3,5-dimethyl-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-3,5-dimethyl-1H-pyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide
3-(4-bromo-3,5-dimethyl-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: | Y508-9912 |
| Compound Name: | 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide |
| Molecular Weight: | 477.47 |
| Molecular Formula: | C22 H29 Br N4 O S |
| Smiles: | CC(Cn1c(C)c(c(C)n1)[Br])C(Nc1c(C#N)c2CCC(Cc2s1)C(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0266 |
| logD: | 3.2674 |
| logSw: | -4.616 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.654 |
| InChI Key: | ZRORQEDCVXIJDY-UHFFFAOYSA-N |