methyl 2-{[3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-3823 |
| Compound Name: | methyl 2-{[3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 648.25 |
| Molecular Formula: | C22 H15 Br2 F3 N4 O4 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1ccc(o1)[Br])[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1284 |
| logD: | 2.5431 |
| logSw: | -5.5143 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.62 |
| InChI Key: | QTOLVPMYMLTTJH-UHFFFAOYSA-N |