2-methyl-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)propanamide
Chemical Structure Depiction of
2-methyl-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)propanamide
2-methyl-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)propanamide
Compound characteristics
| Compound ID: | 0687-1197 |
| Compound Name: | 2-methyl-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)propanamide |
| Molecular Weight: | 447.79 |
| Molecular Formula: | C13 H17 Cl3 N4 O3 S2 |
| Smiles: | CC(C)C(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)S(N)(=O)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0111 |
| logD: | 1.9024 |
| logSw: | -2.7217 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 94.234 |
| InChI Key: | BYTWVXQLUDANSC-NSHDSACASA-N |