methyl 4-[({2,2,2-trichloro-1-[2-(3,5-dimethoxyphenyl)acetamido]ethyl}carbamothioyl)amino]benzoate
					Chemical Structure Depiction of
methyl 4-[({2,2,2-trichloro-1-[2-(3,5-dimethoxyphenyl)acetamido]ethyl}carbamothioyl)amino]benzoate
			methyl 4-[({2,2,2-trichloro-1-[2-(3,5-dimethoxyphenyl)acetamido]ethyl}carbamothioyl)amino]benzoate
Compound characteristics
| Compound ID: | 0649-0097 | 
| Compound Name: | methyl 4-[({2,2,2-trichloro-1-[2-(3,5-dimethoxyphenyl)acetamido]ethyl}carbamothioyl)amino]benzoate | 
| Molecular Weight: | 534.84 | 
| Molecular Formula: | C21 H22 Cl3 N3 O5 S | 
| Smiles: | COC(c1ccc(cc1)NC(NC(C([Cl])([Cl])[Cl])NC(Cc1cc(cc(c1)OC)OC)=O)=S)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 4.2078 | 
| logD: | 3.9857 | 
| logSw: | -4.5121 | 
| Hydrogen bond acceptors count: | 9 | 
| Hydrogen bond donors count: | 3 | 
| Polar surface area: | 79.408 | 
| InChI Key: | AFVJXOUTQSAXME-IBGZPJMESA-N | 
 
				 
				