3-bromo-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
3-bromo-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | Y508-6809 |
| Compound Name: | 3-bromo-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 588.47 |
| Molecular Formula: | C22 H21 Br F3 N5 O2 S2 |
| Smiles: | CC1CCc2c(C(N)=O)c(NC(c3c(c4NC(CC(C(F)(F)F)n4n3)c3cccs3)[Br])=O)sc2C1 |
| Stereo: | MIXTURE OF ISOMERS |
| logP: | 4.0769 |
| logD: | 2.9551 |
| logSw: | -4.5023 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 83.944 |
| InChI Key: | RYZQQEMEFMOCFZ-UHFFFAOYSA-N |