ethyl rel-(2R,3R,4R)-5-cyano-6-{[(4-fluorophenyl)methyl]sulfanyl}-2-hydroxy-2-methyl-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl rel-(2R,3R,4R)-5-cyano-6-{[(4-fluorophenyl)methyl]sulfanyl}-2-hydroxy-2-methyl-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyridine-3-carboxylate
ethyl rel-(2R,3R,4R)-5-cyano-6-{[(4-fluorophenyl)methyl]sulfanyl}-2-hydroxy-2-methyl-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8006-4491 |
| Compound Name: | ethyl rel-(2R,3R,4R)-5-cyano-6-{[(4-fluorophenyl)methyl]sulfanyl}-2-hydroxy-2-methyl-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 432.53 |
| Molecular Formula: | C21 H21 F N2 O3 S2 |
| Smiles: | CCOC([C@@H]1[C@H](C(C#N)=C(N[C@]1(C)O)SCc1ccc(cc1)F)c1cccs1)=O |
| Stereo: | RELATIVE |
| logP: | 3.6793 |
| logD: | 3.6793 |
| logSw: | -3.8469 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.891 |
| InChI Key: | OPQPKFUHWQRRKY-UEXGIBASSA-N |