methyl 1-oxo-2-{2-[(pyridin-4-yl)sulfanyl]acetamido}-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-oxo-2-{2-[(pyridin-4-yl)sulfanyl]acetamido}-1,2-dihydroisoquinoline-4-carboxylate
methyl 1-oxo-2-{2-[(pyridin-4-yl)sulfanyl]acetamido}-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0079 |
| Compound Name: | methyl 1-oxo-2-{2-[(pyridin-4-yl)sulfanyl]acetamido}-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 369.4 |
| Molecular Formula: | C18 H15 N3 O4 S |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(CSc1ccncc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6282 |
| logD: | 0.5758 |
| logSw: | -1.9672 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.45 |
| InChI Key: | WVVWIGAQTWDDKK-UHFFFAOYSA-N |