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 |