methyl 2-{[3-bromo-5-(thiophen-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-(thiophen-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-(thiophen-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: | K061-0539 |
| Compound Name: | methyl 2-{[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 585.42 |
| Molecular Formula: | C22 H16 Br F3 N4 O3 S2 |
| Smiles: | COC(c1c2CCCCc2sc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1cccs1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.014 |
| logD: | 2.4287 |
| logSw: | -5.4637 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.713 |
| InChI Key: | XEIANUQFWJNADZ-UHFFFAOYSA-N |