methyl 2-{2-[(3-benzylquinoxalin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(3-benzylquinoxalin-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(3-benzylquinoxalin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G766-1537 |
| Compound Name: | methyl 2-{2-[(3-benzylquinoxalin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C25 H21 N3 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1c(Cc2ccccc2)nc2ccccc2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9626 |
| logD: | 4.9461 |
| logSw: | -4.7107 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.651 |
| InChI Key: | SHUYKLKPTDCTAB-UHFFFAOYSA-N |