3-{[(3-bromophenyl)methyl]amino}-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-{[(3-bromophenyl)methyl]amino}-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
3-{[(3-bromophenyl)methyl]amino}-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
Compound ID: | E013-0295 |
Compound Name: | 3-{[(3-bromophenyl)methyl]amino}-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione |
Molecular Weight: | 405.31 |
Molecular Formula: | C18 H17 Br N2 O2 S |
Smiles: | CC1=C(c2ccc(C)cc2)S(N=C1NCc1cccc(c1)[Br])(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.0762 |
logD: | 4.0762 |
logSw: | -4.1734 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.167 |
InChI Key: | BMFNBHXVDNNTBY-UHFFFAOYSA-N |