2-({[2,2,2-trichloro-1-(2-nitrobenzamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-({[2,2,2-trichloro-1-(2-nitrobenzamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-({[2,2,2-trichloro-1-(2-nitrobenzamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 1503-0966 |
| Compound Name: | 2-({[2,2,2-trichloro-1-(2-nitrobenzamido)ethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 550.87 |
| Molecular Formula: | C19 H18 Cl3 N5 O4 S2 |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(NC(C([Cl])([Cl])[Cl])NC(c1ccccc1[N+]([O-])=O)=O)=S)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1952 |
| logD: | 0.3405 |
| logSw: | -4.1921 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 110.214 |
| InChI Key: | SBGNIBXDNXVWKB-KRWDZBQOSA-N |