benzyl (2,2,2-trichloro-1-{[(3,4-dichlorophenyl)carbamothioyl]amino}ethyl)carbamate
Chemical Structure Depiction of
benzyl (2,2,2-trichloro-1-{[(3,4-dichlorophenyl)carbamothioyl]amino}ethyl)carbamate
benzyl (2,2,2-trichloro-1-{[(3,4-dichlorophenyl)carbamothioyl]amino}ethyl)carbamate
Compound characteristics
| Compound ID: | 0319-0055 |
| Compound Name: | benzyl (2,2,2-trichloro-1-{[(3,4-dichlorophenyl)carbamothioyl]amino}ethyl)carbamate |
| Molecular Weight: | 501.64 |
| Molecular Formula: | C17 H14 Cl5 N3 O2 S |
| Smiles: | C(c1ccccc1)OC(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(c(c1)[Cl])[Cl])=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5319 |
| logD: | 6.3248 |
| logSw: | -6.4146 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 51.816 |
| InChI Key: | JQBLCTIUZCSJLT-AWEZNQCLSA-N |