methyl 4-{2-[5-methoxy-4-oxo-2-{[(pyrimidin-2-yl)sulfanyl]methyl}pyridin-1(4H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[5-methoxy-4-oxo-2-{[(pyrimidin-2-yl)sulfanyl]methyl}pyridin-1(4H)-yl]acetamido}benzoate
methyl 4-{2-[5-methoxy-4-oxo-2-{[(pyrimidin-2-yl)sulfanyl]methyl}pyridin-1(4H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | G862-0438 |
| Compound Name: | methyl 4-{2-[5-methoxy-4-oxo-2-{[(pyrimidin-2-yl)sulfanyl]methyl}pyridin-1(4H)-yl]acetamido}benzoate |
| Molecular Weight: | 440.48 |
| Molecular Formula: | C21 H20 N4 O5 S |
| Smiles: | COC1=CN(CC(Nc2ccc(cc2)C(=O)OC)=O)C(CSc2ncccn2)=CC1=O |
| Stereo: | ACHIRAL |
| logP: | 1.8093 |
| logD: | 1.8092 |
| logSw: | -2.4739 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.554 |
| InChI Key: | QTPQUOFUIMLXFW-UHFFFAOYSA-N |