methyl 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8010-9262 |
| Compound Name: | methyl 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 305.35 |
| Molecular Formula: | C14 H15 N3 O3 S |
| Smiles: | Cn1ccnc1SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8574 |
| logD: | 1.8521 |
| logSw: | -2.4171 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.209 |
| InChI Key: | CPLHOEQQKOZHLN-UHFFFAOYSA-N |