N-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-beta-alanine
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-beta-alanine
N-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-beta-alanine
Compound characteristics
| Compound ID: | Y043-0711 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-beta-alanine |
| Molecular Weight: | 350.39 |
| Molecular Formula: | C16 H18 N2 O5 S |
| Smiles: | Cc1c(C(NCCC(O)=O)=O)sc(c2ccc(c(c2)OC)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.244 |
| logD: | -1.4517 |
| logSw: | -2.1954 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.72 |
| InChI Key: | RIJBTRVHVOIFPB-UHFFFAOYSA-N |