methyl 4-[({5-(hydroxymethyl)-1-[(3-methylphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[({5-(hydroxymethyl)-1-[(3-methylphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)methyl]benzoate
methyl 4-[({5-(hydroxymethyl)-1-[(3-methylphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)methyl]benzoate
Compound characteristics
| Compound ID: | V011-1615 |
| Compound Name: | methyl 4-[({5-(hydroxymethyl)-1-[(3-methylphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)methyl]benzoate |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C21 H22 N2 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(Cn2c(CO)cnc2SCc2ccc(cc2)C(=O)OC)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.094 |
| logD: | 4.0889 |
| logSw: | -4.1971 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.533 |
| InChI Key: | BXOBIYOQBFIWMG-UHFFFAOYSA-N |