2-[2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-methylacetamide
Chemical Structure Depiction of
2-[2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-methylacetamide
2-[2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-methylacetamide
Compound characteristics
| Compound ID: | F711-0042 |
| Compound Name: | 2-[2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl]-N-methylacetamide |
| Molecular Weight: | 413.29 |
| Molecular Formula: | C15 H17 Br N4 O3 S |
| Smiles: | CNC(Cn1c(CO)cnc1SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1177 |
| logD: | 1.1173 |
| logSw: | -2.0966 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.402 |
| InChI Key: | KQAWQFSDYHGFEV-UHFFFAOYSA-N |