3-(4-bromo-3-methylanilino)-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-(4-bromo-3-methylanilino)-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
3-(4-bromo-3-methylanilino)-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
Compound ID: | E013-0451 |
Compound Name: | 3-(4-bromo-3-methylanilino)-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione |
Molecular Weight: | 419.34 |
Molecular Formula: | C19 H19 Br N2 O2 S |
Smiles: | CC1=C(c2ccc(C)c(C)c2)S(N=C1Nc1ccc(c(C)c1)[Br])(=O)=O |
Stereo: | ACHIRAL |
logP: | 5.4957 |
logD: | 5.4874 |
logSw: | -5.5195 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.844 |
InChI Key: | QETVTXCVTNXBEX-UHFFFAOYSA-N |