2-bromo-N-(2,2,2-trichloro-1-{[(2,5-dimethylphenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
2-bromo-N-(2,2,2-trichloro-1-{[(2,5-dimethylphenyl)carbamothioyl]amino}ethyl)benzamide
2-bromo-N-(2,2,2-trichloro-1-{[(2,5-dimethylphenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
Compound ID: | 0966-0074 |
Compound Name: | 2-bromo-N-(2,2,2-trichloro-1-{[(2,5-dimethylphenyl)carbamothioyl]amino}ethyl)benzamide |
Molecular Weight: | 509.68 |
Molecular Formula: | C18 H17 Br Cl3 N3 O S |
Smiles: | Cc1ccc(C)c(c1)NC(NC(C([Cl])([Cl])[Cl])NC(c1ccccc1[Br])=O)=S |
Stereo: | RACEMIC MIXTURE |
logP: | 5.0601 |
logD: | 3.4006 |
logSw: | -5.0454 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 42.662 |
InChI Key: | DYVTXIRLGNPNCS-INIZCTEOSA-N |