5-(4-bromophenyl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
5-(4-bromophenyl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
5-(4-bromophenyl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | K061-0916 |
| Compound Name: | 5-(4-bromophenyl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 636.92 |
| Molecular Formula: | C27 H22 Br Cl F3 N5 O S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(c3c(c4nc(cc(C(F)(F)F)n4n3)c3ccc(cc3)[Br])[Cl])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.6317 |
| logD: | 6.0754 |
| logSw: | -7.0999 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.577 |
| InChI Key: | BYSPWCQRKAHEDH-CQSZACIVSA-N |