2-{[(1-butanamido-2,2,2-trichloroethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{[(1-butanamido-2,2,2-trichloroethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{[(1-butanamido-2,2,2-trichloroethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 1309-2299 |
| Compound Name: | 2-{[(1-butanamido-2,2,2-trichloroethyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 471.85 |
| Molecular Formula: | C16 H21 Cl3 N4 O2 S2 |
| Smiles: | CCCC(NC(C([Cl])([Cl])[Cl])NC(Nc1c(C(N)=O)c2CCCCc2s1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6456 |
| logD: | 2.5951 |
| logSw: | -3.5077 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 77.192 |
| InChI Key: | HXNKSXQHSTUWDK-AWEZNQCLSA-N |