methyl 4-(2-{[1-benzyl-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[1-benzyl-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[1-benzyl-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G621-0178 |
| Compound Name: | methyl 4-(2-{[1-benzyl-5-(hydroxymethyl)-1H-imidazol-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1ncc(CO)n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1229 |
| logD: | 3.1227 |
| logSw: | -3.2539 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.682 |
| InChI Key: | MQDLWCUXJQCRBQ-UHFFFAOYSA-N |