methyl 4-{2-[(1-cyclohexyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(1-cyclohexyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(1-cyclohexyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G877-0080 |
| Compound Name: | methyl 4-{2-[(1-cyclohexyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 373.47 |
| Molecular Formula: | C19 H23 N3 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nccn1C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8184 |
| logD: | 3.8136 |
| logSw: | -3.9121 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.674 |
| InChI Key: | XWPNCMFWIFRZCN-UHFFFAOYSA-N |