3-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
3-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | Y500-0553 |
| Compound Name: | 3-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 566.42 |
| Molecular Formula: | C22 H15 Br F3 N5 O S2 |
| Smiles: | CC1CCc2c(C#N)c(NC(c3c(c4nc(cc(C(F)(F)F)n4n3)c3cccs3)[Br])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3679 |
| logD: | 3.8116 |
| logSw: | -5.5438 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.595 |
| InChI Key: | QBWRLQDTRUOVIB-SNVBAGLBSA-N |