3-bromo-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0885 |
| Compound Name: | 3-bromo-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 612.47 |
| Molecular Formula: | C25 H25 Br F3 N5 O3 S |
| Smiles: | CC1CCc2c(C(N)=O)c(NC(c3c(c4NC(CC(C(F)(F)F)n4n3)c3ccc(cc3)OC)[Br])=O)sc2C1 |
| Stereo: | MIXTURE OF ISOMERS |
| logP: | 4.5159 |
| logD: | 3.3941 |
| logSw: | -4.6418 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 90.469 |
| InChI Key: | KMCILSKHUUOZFO-UHFFFAOYSA-N |