3-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
3-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | K061-0509 |
| Compound Name: | 3-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 602.48 |
| Molecular Formula: | C27 H23 Br F3 N5 O S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(c3c(c4nc(cc(C(F)(F)F)n4n3)c3ccccc3)[Br])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.742 |
| logD: | 5.1857 |
| logSw: | -5.7011 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.577 |
| InChI Key: | TVFRHLCQWWYLBR-OAHLLOKOSA-N |