dimethyl 6'-amino-1'-(3-chloro-4-fluorophenyl)-5'-cyano-1',4'-dihydro[3,4'-bipyridine]-2',3'-dicarboxylate
Chemical Structure Depiction of
dimethyl 6'-amino-1'-(3-chloro-4-fluorophenyl)-5'-cyano-1',4'-dihydro[3,4'-bipyridine]-2',3'-dicarboxylate
dimethyl 6'-amino-1'-(3-chloro-4-fluorophenyl)-5'-cyano-1',4'-dihydro[3,4'-bipyridine]-2',3'-dicarboxylate
Compound characteristics
| Compound ID: | 8018-6138 |
| Compound Name: | dimethyl 6'-amino-1'-(3-chloro-4-fluorophenyl)-5'-cyano-1',4'-dihydro[3,4'-bipyridine]-2',3'-dicarboxylate |
| Molecular Weight: | 442.83 |
| Molecular Formula: | C21 H16 Cl F N4 O4 |
| Smiles: | COC(C1C(C(C#N)=C(N)N(C=1C(=O)OC)c1ccc(c(c1)[Cl])F)c1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5076 |
| logD: | 2.5076 |
| logSw: | -3.201 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.302 |
| InChI Key: | NEHHZUALLWZBAD-INIZCTEOSA-N |