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 |