2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Chemical Structure Depiction of
2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Available: 132 mg
Amount:
mg
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Compound characteristics

Compound ID: 4593-5236
Compound Name: 2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Molecular Weight: 500.53
Molecular Formula: C26 H20 N4 O5 S
Smiles: C1CCc2c(C1)c(C#N)c(N1C(C3C(c4ccc(cc4)[N+]([O-])=O)N(c4ccccc4)OC3C1=O)=O)s2
Stereo: MIXTURE OF STEREOISOMERS
logP: 4.076
logD: 4.076
logSw: -4.616
Hydrogen bond acceptors count: 10
Polar surface area: 95.061
InChI Key: OSELEOGXZVQBFU-UHFFFAOYSA-N
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