methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4552-4301 |
| Compound Name: | methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 453.49 |
| Molecular Formula: | C23 H20 F N3 O4 S |
| Smiles: | COC(C1C(C(C#N)=C(NC1=O)SCC(NCc1ccccc1)=O)c1ccccc1F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6304 |
| logD: | 2.5362 |
| logSw: | -3.0746 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.618 |
| InChI Key: | YODRZWOGLGGORO-UHFFFAOYSA-N |