methyl 4-({[5-(hydroxymethyl)-1-{[2-(trifluoromethyl)phenyl]methyl}-1H-imidazol-2-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[5-(hydroxymethyl)-1-{[2-(trifluoromethyl)phenyl]methyl}-1H-imidazol-2-yl]sulfanyl}methyl)benzoate
methyl 4-({[5-(hydroxymethyl)-1-{[2-(trifluoromethyl)phenyl]methyl}-1H-imidazol-2-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V027-0846 |
| Compound Name: | methyl 4-({[5-(hydroxymethyl)-1-{[2-(trifluoromethyl)phenyl]methyl}-1H-imidazol-2-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 436.45 |
| Molecular Formula: | C21 H19 F3 N2 O3 S |
| Salt: | not_available |
| Smiles: | COC(c1ccc(CSc2ncc(CO)n2Cc2ccccc2C(F)(F)F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3661 |
| logD: | 4.3387 |
| logSw: | -4.2247 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.533 |
| InChI Key: | AYFDMDWWBRAMFW-UHFFFAOYSA-N |