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