ethyl 2-{[rel-(5R,7S)-3-bromo-5-(5-bromothiophen-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
ethyl 2-{[rel-(5R,7S)-3-bromo-5-(5-bromothiophen-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
Available: 73 mg
Amount:
mg
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Compound characteristics

Compound ID: 3209-0653
Compound Name: ethyl 2-{[rel-(5R,7S)-3-bromo-5-(5-bromothiophen-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: 682.38
Molecular Formula: C23 H21 Br2 F3 N4 O3 S2
Smiles: CCOC(c1c2CCCCc2sc1NC(c1c(c2N[C@H](C[C@@H](C(F)(F)F)n2n1)c1ccc(s1)[Br])[Br])=O)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 6.7545
logD: 3.5957
logSw: -5.7385
Hydrogen bond acceptors count: 6
Hydrogen bond donors count: 2
Polar surface area: 70.639
InChI Key: AEHIKPSZUXFVOD-BXUZGUMPSA-N
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