benzyl (2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
					Chemical Structure Depiction of
benzyl (2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
			benzyl (2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)carbamate
Compound characteristics
| Compound ID: | 0437-0093 | 
| Compound Name: | benzyl (2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)carbamate | 
| Molecular Weight: | 507.78 | 
| Molecular Formula: | C18 H17 Cl3 N4 O5 S | 
| Smiles: | COc1ccc(cc1NC(NC(C([Cl])([Cl])[Cl])NC(=O)OCc1ccccc1)=S)[N+]([O-])=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 4.8904 | 
| logD: | 4.6833 | 
| logSw: | -5.0689 | 
| Hydrogen bond acceptors count: | 10 | 
| Hydrogen bond donors count: | 3 | 
| Polar surface area: | 92.131 | 
| InChI Key: | GXGAZZDVCYPSHO-HNNXBMFYSA-N | 
 
				 
				