rel-(3aR,6aS)-1-(2,5-dimethylphenyl)-3-[(3-nitrophenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione

Chemical Structure Depiction of
rel-(3aR,6aS)-1-(2,5-dimethylphenyl)-3-[(3-nitrophenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Available: 24 mg
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mg
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Compound characteristics

Compound ID: C200-4827
Compound Name: rel-(3aR,6aS)-1-(2,5-dimethylphenyl)-3-[(3-nitrophenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Molecular Weight: 415.47
Molecular Formula: C20 H21 N3 O5 S
Smiles: Cc1ccc(C)c(c1)N1C(N(Cc2cccc(c2)[N+]([O-])=O)[C@@H]2CS(C[C@H]12)(=O)=O)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 2.7641
logD: 2.7641
logSw: -3.1207
Hydrogen bond acceptors count: 10
Polar surface area: 79.654
InChI Key: AOOXXOIQBKJCRJ-UHFFFAOYSA-N
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