methyl 4-({[5-(hydroxymethyl)-1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1H-imidazol-2-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[5-(hydroxymethyl)-1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1H-imidazol-2-yl]sulfanyl}methyl)benzoate
methyl 4-({[5-(hydroxymethyl)-1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1H-imidazol-2-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | F711-0634 |
| Compound Name: | methyl 4-({[5-(hydroxymethyl)-1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1H-imidazol-2-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C23 H25 N3 O4 S |
| Smiles: | Cc1ccc(CNC(Cn2c(CO)cnc2SCc2ccc(cc2)C(=O)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0357 |
| logD: | 3.0228 |
| logSw: | -3.0276 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.004 |
| InChI Key: | KSNRXQMUJNWCSO-UHFFFAOYSA-N |