propan-2-yl 2-{[rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{[rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-{[rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3209-1411 |
| Compound Name: | propan-2-yl 2-{[rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 680.34 |
| Molecular Formula: | C24 H23 Br2 F3 N4 O4 S |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(c1c(c2N[C@H](C[C@@H](C(F)(F)F)n2n1)c1ccc(o1)[Br])[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.7188 |
| logD: | 3.5599 |
| logSw: | -5.6978 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.225 |
| InChI Key: | LGWNWIGGKWALSW-IUODEOHRSA-N |