benzyl (2,2,2-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)carbamate
Chemical Structure Depiction of
benzyl (2,2,2-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)carbamate
benzyl (2,2,2-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)carbamate
Compound characteristics
| Compound ID: | 0319-0050 |
| Compound Name: | benzyl (2,2,2-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)carbamate |
| Molecular Weight: | 462.78 |
| Molecular Formula: | C18 H18 Cl3 N3 O3 S |
| Smiles: | COc1ccc(cc1)NC(NC(C([Cl])([Cl])[Cl])NC(=O)OCc1ccccc1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0399 |
| logD: | 4.8329 |
| logSw: | -5.1127 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 59.36 |
| InChI Key: | WZJKKUFPLSTPTM-HNNXBMFYSA-N |