methyl 5'-cyano-6'-hydroxy-2'-methyl-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate--morpholine (1/1)
Chemical Structure Depiction of
methyl 5'-cyano-6'-hydroxy-2'-methyl-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate--morpholine (1/1)
methyl 5'-cyano-6'-hydroxy-2'-methyl-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate--morpholine (1/1)
Compound characteristics
Compound ID: | Y500-0326 |
Compound Name: | methyl 5'-cyano-6'-hydroxy-2'-methyl-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate--morpholine (1/1) |
Molecular Weight: | 358.4 |
Molecular Formula: | C14 H13 N3 O3 |
Salt: | O(CH2CH2)2NH |
Smiles: | CC1=C(C(C(C#N)=C(N1)O)c1cccnc1)C(=O)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 0.586 |
logD: | -1.6107 |
logSw: | -1.063 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.621 |
InChI Key: | KBZNAPSBUAXMON-GFCCVEGCSA-N |