N-(1-{[(4-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-3-methylbutanamide
Chemical Structure Depiction of
N-(1-{[(4-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-3-methylbutanamide
N-(1-{[(4-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-3-methylbutanamide
Compound characteristics
| Compound ID: | 0319-0080 |
| Compound Name: | N-(1-{[(4-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-3-methylbutanamide |
| Molecular Weight: | 461.63 |
| Molecular Formula: | C14 H17 Br Cl3 N3 O S |
| Smiles: | CC(C)CC(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)[Br])=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9632 |
| logD: | 4.8197 |
| logSw: | -4.8276 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 43.418 |
| InChI Key: | MOKLBCKAYOEIJR-LBPRGKRZSA-N |