1-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)imino]-2,3-dihydro-1,3-thiazol-5-yl}ethan-1-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
1-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)imino]-2,3-dihydro-1,3-thiazol-5-yl}ethan-1-one--hydrogen bromide (1/1)
1-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)imino]-2,3-dihydro-1,3-thiazol-5-yl}ethan-1-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8013-7923 |
| Compound Name: | 1-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)imino]-2,3-dihydro-1,3-thiazol-5-yl}ethan-1-one--hydrogen bromide (1/1) |
| Molecular Weight: | 491.45 |
| Molecular Formula: | C23 H26 N2 O3 S |
| Salt: | HBr |
| Smiles: | CC1=C(C(C)=O)SC(=N/c2ccc(C)cc2)/N1CCc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2885 |
| logD: | 4.2885 |
| logSw: | -4.2925 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.647 |
| InChI Key: | LHBDCUMRTZPLHT-WCWDXBQESA-N |