rel-(5R,7S)-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 7213-0360 |
| Compound Name: | rel-(5R,7S)-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 493.51 |
| Molecular Formula: | C22 H22 F3 N5 O3 S |
| Smiles: | CC1CCc2c(C(N)=O)c(NC(c3cc4N[C@H](C[C@@H](C(F)(F)F)n4n3)c3ccco3)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0875 |
| logD: | 2.706 |
| logSw: | -3.5741 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.21 |
| InChI Key: | USZOLJGCHZTBMB-WPJLSRQMSA-N |