ethyl (2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
Chemical Structure Depiction of
ethyl (2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
ethyl (2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
Compound characteristics
| Compound ID: | 0318-0114 |
| Compound Name: | ethyl (2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)carbamate |
| Molecular Weight: | 415.68 |
| Molecular Formula: | C12 H13 Cl3 N4 O4 S |
| Smiles: | CCOC(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)[N+]([O-])=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5867 |
| logD: | 3.2731 |
| logSw: | -3.9073 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.094 |
| InChI Key: | ADOHRBVCQGCXAQ-VIFPVBQESA-N |