methyl 2-{2-[(2-ethyl-2-methyl-5-phenyl-2H-imidazol-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(2-ethyl-2-methyl-5-phenyl-2H-imidazol-4-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(2-ethyl-2-methyl-5-phenyl-2H-imidazol-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | C250-0026 |
| Compound Name: | methyl 2-{2-[(2-ethyl-2-methyl-5-phenyl-2H-imidazol-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | CCC1(C)N=C(C(=N1)SCC(Nc1ccccc1C(=O)OC)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6354 |
| logD: | 3.6235 |
| logSw: | -3.8786 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.405 |
| InChI Key: | ZEEXRTTYZZVMBB-QFIPXVFZSA-N |