methyl 4-({[2,2,2-trichloro-1-(3-methylbutanamido)ethyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({[2,2,2-trichloro-1-(3-methylbutanamido)ethyl]carbamothioyl}amino)benzoate
methyl 4-({[2,2,2-trichloro-1-(3-methylbutanamido)ethyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | 0319-0089 |
| Compound Name: | methyl 4-({[2,2,2-trichloro-1-(3-methylbutanamido)ethyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 440.77 |
| Molecular Formula: | C16 H20 Cl3 N3 O3 S |
| Smiles: | CC(C)CC(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)C(=O)OC)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2201 |
| logD: | 4.0765 |
| logSw: | -4.443 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.592 |
| InChI Key: | UXPYOQDAKWJFSP-AWEZNQCLSA-N |