rel-(6R,9S)-2-(cyclopropylmethyl)-11-[(2-fluorophenyl)acetyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one

Chemical Structure Depiction of
rel-(6R,9S)-2-(cyclopropylmethyl)-11-[(2-fluorophenyl)acetyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one
Available: 3 mg
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mg
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Compound characteristics

Compound ID: SA13-0666
Compound Name: rel-(6R,9S)-2-(cyclopropylmethyl)-11-[(2-fluorophenyl)acetyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one
Molecular Weight: 370.43
Molecular Formula: C20 H23 F N4 O2
Smiles: C1CC1CN1C(N2C[C@H]3CC[C@@H](CC2=N1)N3C(Cc1ccccc1F)=O)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 2.1224
logD: 2.1212
logSw: -2.3407
Hydrogen bond acceptors count: 5
Polar surface area: 48.773
InChI Key: HPWHYDHYUHRCFX-CVEARBPZSA-N
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