propan-2-yl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K061-0505 |
| Compound Name: | propan-2-yl 2-{[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 607.45 |
| Molecular Formula: | C26 H22 Br F3 N4 O3 S |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1ccccc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1573 |
| logD: | 3.5721 |
| logSw: | -5.6642 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.953 |
| InChI Key: | SJYNGFWSHBZELR-UHFFFAOYSA-N |