methyl 2-{[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K061-0535 |
| Compound Name: | methyl 2-{[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 641.53 |
| Molecular Formula: | C26 H24 Br F3 N4 O3 S2 |
| Smiles: | CC(C)(C)C1CCc2c(C(=O)OC)c(NC(c3c(c4nc(cc(C(F)(F)F)n4n3)c3cccs3)[Br])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5712 |
| logD: | 3.9859 |
| logSw: | -5.7062 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.713 |
| InChI Key: | MHXSHKCFSRQNKN-GFCCVEGCSA-N |