4-bromo-N-{[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamothioyl}benzamide
Chemical Structure Depiction of
4-bromo-N-{[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamothioyl}benzamide
4-bromo-N-{[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | Y501-5996 |
| Compound Name: | 4-bromo-N-{[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamothioyl}benzamide |
| Molecular Weight: | 460.41 |
| Molecular Formula: | C20 H18 Br N3 O S2 |
| Smiles: | Cc1ccc(C)c(c1)c1c(C)sc(NC(NC(c2ccc(cc2)[Br])=O)=S)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.6274 |
| logD: | 6.6273 |
| logSw: | -5.6011 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.785 |
| InChI Key: | UPNIPBQTZWOBEQ-UHFFFAOYSA-N |