benzyl (2,2,2-trichloro-1-{[(2-methyl-4-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
Chemical Structure Depiction of
benzyl (2,2,2-trichloro-1-{[(2-methyl-4-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
benzyl (2,2,2-trichloro-1-{[(2-methyl-4-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
Compound characteristics
| Compound ID: | 0319-0067 |
| Compound Name: | benzyl (2,2,2-trichloro-1-{[(2-methyl-4-nitrophenyl)carbamothioyl]amino}ethyl)carbamate |
| Molecular Weight: | 491.78 |
| Molecular Formula: | C18 H17 Cl3 N4 O4 S |
| Smiles: | Cc1cc(ccc1NC(NC(C([Cl])([Cl])[Cl])NC(=O)OCc1ccccc1)=S)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2746 |
| logD: | 5.0675 |
| logSw: | -5.7609 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.5 |
| InChI Key: | KFQQBSCPTZKXGH-HNNXBMFYSA-N |