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rel-(5aR,8aR)-7-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one

Chemical Structure Depiction of
rel-(5aR,8aR)-7-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Available: 15 mg
Amount:
mg
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$83.09
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Compound characteristics

Compound ID: SB66-1020
Compound Name: rel-(5aR,8aR)-7-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Molecular Weight: 398.48
Molecular Formula: C22 H27 F N4 O2
Smiles: CCn1c(C)c(cn1)C(N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O)=O
Stereo: RELATIVE
logP: 1.9278
logD: 1.9278
logSw: -2.4419
Hydrogen bond acceptors count: 5
Polar surface area: 47.11
InChI Key: RUSGAFHCZHFJQE-XLIONFOSSA-N
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