benzyl (2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
Chemical Structure Depiction of
benzyl (2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
benzyl (2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
Compound characteristics
| Compound ID: | 0319-0065 |
| Compound Name: | benzyl (2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)carbamate |
| Molecular Weight: | 477.75 |
| Molecular Formula: | C17 H15 Cl3 N4 O4 S |
| Smiles: | C(c1ccccc1)OC(NC(C([Cl])([Cl])[Cl])NC(Nc1ccccc1[N+]([O-])=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0452 |
| logD: | 4.8381 |
| logSw: | -5.1814 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.199 |
| InChI Key: | VSFQHELSQIDGPY-AWEZNQCLSA-N |