prop-2-en-1-yl 5'-cyano-2'-methyl-6'-sulfanyl-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate--morpholine (1/1)
Chemical Structure Depiction of
prop-2-en-1-yl 5'-cyano-2'-methyl-6'-sulfanyl-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate--morpholine (1/1)
prop-2-en-1-yl 5'-cyano-2'-methyl-6'-sulfanyl-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate--morpholine (1/1)
Compound characteristics
| Compound ID: | 3132-0227 |
| Compound Name: | prop-2-en-1-yl 5'-cyano-2'-methyl-6'-sulfanyl-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylate--morpholine (1/1) |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C16 H15 N3 O2 S |
| Salt: | O(CH2CH2)2NH |
| Smiles: | CC1=C(C(C(C#N)=C(N1)S)c1cccnc1)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7972 |
| logD: | -2.5294 |
| logSw: | -1.5085 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.06 |
| InChI Key: | SONXJDAPQFUAHE-CQSZACIVSA-N |