methyl 5'-cyano-2'-methyl-6'-sulfanyl-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate--morpholine (1/1)
Chemical Structure Depiction of
methyl 5'-cyano-2'-methyl-6'-sulfanyl-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate--morpholine (1/1)
methyl 5'-cyano-2'-methyl-6'-sulfanyl-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate--morpholine (1/1)
Compound characteristics
Compound ID: | 8009-8875 |
Compound Name: | methyl 5'-cyano-2'-methyl-6'-sulfanyl-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate--morpholine (1/1) |
Molecular Weight: | 374.46 |
Molecular Formula: | C14 H13 N3 O2 S |
Salt: | O(CH2CH2)2NH |
Smiles: | CC1=C(C(C(C#N)=C(N1)S)c1cccnc1)C(=O)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 1.3523 |
logD: | -2.9743 |
logSw: | -1.1134 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 58.186 |
InChI Key: | MFFYGTFPNUFJHS-GFCCVEGCSA-N |