methyl 2-{2-[(2,2-dimethyl-5-phenyl-2H-imidazol-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(2,2-dimethyl-5-phenyl-2H-imidazol-4-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(2,2-dimethyl-5-phenyl-2H-imidazol-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | C250-0022 |
| Compound Name: | methyl 2-{2-[(2,2-dimethyl-5-phenyl-2H-imidazol-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | CC1(C)N=C(C(=N1)SCC(Nc1ccccc1C(=O)OC)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1997 |
| logD: | 3.1878 |
| logSw: | -3.5442 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.191 |
| InChI Key: | AJKWXLQZPDXDRF-UHFFFAOYSA-N |