2-{[(1-acetamido-2,2,2-trichloroethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{[(1-acetamido-2,2,2-trichloroethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{[(1-acetamido-2,2,2-trichloroethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
Compound ID: | 1501-0732 |
Compound Name: | 2-{[(1-acetamido-2,2,2-trichloroethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
Molecular Weight: | 443.8 |
Molecular Formula: | C14 H17 Cl3 N4 O2 S2 |
Smiles: | CC(NC(C([Cl])([Cl])[Cl])NC(Nc1c(C(N)=O)c2CCCCc2s1)=S)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.6217 |
logD: | 1.603 |
logSw: | -2.6796 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 5 |
Polar surface area: | 77.304 |
InChI Key: | WUKZAOKSQYTOLH-LBPRGKRZSA-N |