3-methyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)butanamide

Chemical Structure Depiction of
3-methyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)butanamide
Available: 208 mg
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mg
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Compound characteristics

Compound ID: 0319-0086
Compound Name: 3-methyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)butanamide
Molecular Weight: 427.73
Molecular Formula: C14 H17 Cl3 N4 O3 S
Smiles: CC(C)CC(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)[N+]([O-])=O)=S)=O
Stereo: RACEMIC MIXTURE
logP: 4.055
logD: 3.9115
logSw: -4.3827
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 3
Polar surface area: 76.799
InChI Key: MSPDJEAUQDFYKH-LBPRGKRZSA-N
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