3-({[2,2,2-trichloro-1-(3-methylbutanamido)ethyl]carbamothioyl}amino)benzoic acid
Chemical Structure Depiction of
3-({[2,2,2-trichloro-1-(3-methylbutanamido)ethyl]carbamothioyl}amino)benzoic acid
3-({[2,2,2-trichloro-1-(3-methylbutanamido)ethyl]carbamothioyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 1501-0120 |
| Compound Name: | 3-({[2,2,2-trichloro-1-(3-methylbutanamido)ethyl]carbamothioyl}amino)benzoic acid |
| Molecular Weight: | 426.75 |
| Molecular Formula: | C15 H18 Cl3 N3 O3 S |
| Smiles: | CC(C)CC(NC(C([Cl])([Cl])[Cl])NC(Nc1cccc(c1)C(O)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2533 |
| logD: | 1.3674 |
| logSw: | -4.2652 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 71.826 |
| InChI Key: | BUJBMVXANKABRS-ZDUSSCGKSA-N |