methyl 2-{[(1-acetamido-2,2,2-trichloroethyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[(1-acetamido-2,2,2-trichloroethyl)carbamothioyl]amino}benzoate
methyl 2-{[(1-acetamido-2,2,2-trichloroethyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | 0318-0058 |
| Compound Name: | methyl 2-{[(1-acetamido-2,2,2-trichloroethyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 398.69 |
| Molecular Formula: | C13 H14 Cl3 N3 O3 S |
| Smiles: | CC(NC(C([Cl])([Cl])[Cl])NC(Nc1ccccc1C(=O)OC)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5493 |
| logD: | 2.5123 |
| logSw: | -3.4662 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.007 |
| InChI Key: | FBMQXFUTLGCCFL-NSHDSACASA-N |