N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)furan-2-carboxamide
Chemical Structure Depiction of
N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)furan-2-carboxamide
N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | 1501-0139 |
| Compound Name: | N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)furan-2-carboxamide |
| Molecular Weight: | 437.69 |
| Molecular Formula: | C14 H11 Cl3 N4 O4 S |
| Smiles: | c1cc(C(NC(C([Cl])([Cl])[Cl])NC(Nc2ccc(cc2)[N+]([O-])=O)=S)=O)oc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3467 |
| logD: | 2.8957 |
| logSw: | -3.8391 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.32 |
| InChI Key: | NCVNWUZYWVPJNU-LBPRGKRZSA-N |