methyl 4-[({5-(hydroxymethyl)-1-[2-(methylamino)-2-oxoethyl]-1H-imidazol-2-yl}sulfanyl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[({5-(hydroxymethyl)-1-[2-(methylamino)-2-oxoethyl]-1H-imidazol-2-yl}sulfanyl)methyl]benzoate
methyl 4-[({5-(hydroxymethyl)-1-[2-(methylamino)-2-oxoethyl]-1H-imidazol-2-yl}sulfanyl)methyl]benzoate
Compound characteristics
| Compound ID: | F711-0038 |
| Compound Name: | methyl 4-[({5-(hydroxymethyl)-1-[2-(methylamino)-2-oxoethyl]-1H-imidazol-2-yl}sulfanyl)methyl]benzoate |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C16 H19 N3 O4 S |
| Smiles: | CNC(Cn1c(CO)cnc1SCc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.699 |
| logD: | 0.6861 |
| logSw: | -2.0169 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.426 |
| InChI Key: | ZAVCUIIKWRFDOI-UHFFFAOYSA-N |