benzyl (1-{[(3-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)carbamate
Chemical Structure Depiction of
benzyl (1-{[(3-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)carbamate
benzyl (1-{[(3-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)carbamate
Compound characteristics
| Compound ID: | 0319-0058 |
| Compound Name: | benzyl (1-{[(3-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)carbamate |
| Molecular Weight: | 511.65 |
| Molecular Formula: | C17 H15 Br Cl3 N3 O2 S |
| Smiles: | C(c1ccccc1)OC(NC(C([Cl])([Cl])[Cl])NC(Nc1cccc(c1)[Br])=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8656 |
| logD: | 5.6585 |
| logSw: | -6.1007 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 51.816 |
| InChI Key: | HKLRRVPCRDVDOT-AWEZNQCLSA-N |