benzyl (2,2,2-trichloro-1-{[(3-methylphenyl)carbamothioyl]amino}ethyl)carbamate
Chemical Structure Depiction of
benzyl (2,2,2-trichloro-1-{[(3-methylphenyl)carbamothioyl]amino}ethyl)carbamate
benzyl (2,2,2-trichloro-1-{[(3-methylphenyl)carbamothioyl]amino}ethyl)carbamate
Compound characteristics
| Compound ID: | 0319-0045 |
| Compound Name: | benzyl (2,2,2-trichloro-1-{[(3-methylphenyl)carbamothioyl]amino}ethyl)carbamate |
| Molecular Weight: | 446.78 |
| Molecular Formula: | C18 H18 Cl3 N3 O2 S |
| Smiles: | Cc1cccc(c1)NC(NC(C([Cl])([Cl])[Cl])NC(=O)OCc1ccccc1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4175 |
| logD: | 5.2104 |
| logSw: | -5.8719 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 51.816 |
| InChI Key: | XWMMDWNLNSEVAS-HNNXBMFYSA-N |