N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | Y508-7490 |
| Compound Name: | N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-chloro-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 580.07 |
| Molecular Formula: | C27 H29 Cl F3 N5 O2 S |
| Smiles: | CC(C)(C)C1CCc2c(C(N)=O)c(NC(c3c(c4NC(CC(C(F)(F)F)n4n3)c3ccccc3)[Cl])=O)sc2C1 |
| Stereo: | MIXTURE OF ISOMERS |
| logP: | 5.6119 |
| logD: | 4.49 |
| logSw: | -6.0634 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 82.926 |
| InChI Key: | SUTCHLCWQZWJAI-UHFFFAOYSA-N |