5-(4-bromophenyl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[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)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
5-(4-bromophenyl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
Compound ID: | 3209-0964 |
Compound Name: | 5-(4-bromophenyl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
Molecular Weight: | 606.51 |
Molecular Formula: | C27 H27 Br F3 N5 O S |
Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(c3cc4NC(CC(C(F)(F)F)n4n3)c3ccc(cc3)[Br])=O)sc2C1 |
Stereo: | MIXTURE OF ISOMERS |
logP: | 7.6074 |
logD: | 6.3912 |
logSw: | -5.7017 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 67.629 |
InChI Key: | OZWWIMMXYQWFBR-UHFFFAOYSA-N |