4-methylmorpholin-4-ium--3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-2-thiolate (1/1)
Chemical Structure Depiction of
4-methylmorpholin-4-ium--3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-2-thiolate (1/1)
4-methylmorpholin-4-ium--3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-2-thiolate (1/1)
Compound characteristics
| Compound ID: | 2188-0769 |
| Compound Name: | 4-methylmorpholin-4-ium--3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-2-thiolate (1/1) |
| Molecular Weight: | 376.43 |
| Molecular Formula: | C12 H8 N3 O3 S |
| Salt: | O(CH2CH2)2N(CH3)H+ |
| Smiles: | C1C(C(C#N)=C(NC1=O)[S-])c1ccccc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.366 |
| logD: | 1.3629 |
| logSw: | -2.1504 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.66 |
| InChI Key: | NJMGOOIYUKNCMU-QMMMGPOBSA-M |