methyl 4-[2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | G856-2121 |
| Compound Name: | methyl 4-[2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | [H]N(C(CSc1nccn1Cc1ccc(C)cc1)=O)c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8904 |
| logD: | 3.8898 |
| logSw: | -3.9399 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.382 |
| InChI Key: | PHJNPBRFIKXIIN-UHFFFAOYSA-N |