N,N-dimethyl-N'-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)urea
Chemical Structure Depiction of
N,N-dimethyl-N'-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)urea
N,N-dimethyl-N'-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)urea
Compound characteristics
| Compound ID: | 0319-0109 |
| Compound Name: | N,N-dimethyl-N'-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)urea |
| Molecular Weight: | 414.7 |
| Molecular Formula: | C12 H14 Cl3 N5 O3 S |
| Smiles: | CN(C)C(NC(C([Cl])([Cl])[Cl])NC(Nc1cccc(c1)[N+]([O-])=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8466 |
| logD: | 2.8207 |
| logSw: | -3.6213 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.471 |
| InChI Key: | QAKLULBVOFIQHE-VIFPVBQESA-N |