3-methyl-N-(2,2,2-trichloro-1-{[(3-methylphenyl)carbamothioyl]amino}ethyl)butanamide
Chemical Structure Depiction of
3-methyl-N-(2,2,2-trichloro-1-{[(3-methylphenyl)carbamothioyl]amino}ethyl)butanamide
3-methyl-N-(2,2,2-trichloro-1-{[(3-methylphenyl)carbamothioyl]amino}ethyl)butanamide
Compound characteristics
| Compound ID: | 0319-0090 |
| Compound Name: | 3-methyl-N-(2,2,2-trichloro-1-{[(3-methylphenyl)carbamothioyl]amino}ethyl)butanamide |
| Molecular Weight: | 396.76 |
| Molecular Formula: | C15 H20 Cl3 N3 O S |
| Smiles: | CC(C)CC(NC(C([Cl])([Cl])[Cl])NC(Nc1cccc(C)c1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4893 |
| logD: | 4.3457 |
| logSw: | -4.4351 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 43.418 |
| InChI Key: | YMLZTKZSKZOAHK-ZDUSSCGKSA-N |