3-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
3-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | E013-0605 |
| Compound Name: | 3-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 449.36 |
| Molecular Formula: | C20 H21 Br N2 O3 S |
| Smiles: | CC1=C(c2ccc(C)c(C)c2)S(N=C1NCc1cc(ccc1OC)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7143 |
| logD: | 4.7142 |
| logSw: | -4.506 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.797 |
| InChI Key: | DUYLJSPIHCKUSP-UHFFFAOYSA-N |