2-amino-4-[4-(methylsulfanyl)phenyl]-8-{[4-(methylsulfanyl)phenyl]methylidene}-6-propyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[4-(methylsulfanyl)phenyl]-8-{[4-(methylsulfanyl)phenyl]methylidene}-6-propyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
2-amino-4-[4-(methylsulfanyl)phenyl]-8-{[4-(methylsulfanyl)phenyl]methylidene}-6-propyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 6773-1143 |
| Compound Name: | 2-amino-4-[4-(methylsulfanyl)phenyl]-8-{[4-(methylsulfanyl)phenyl]methylidene}-6-propyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile |
| Molecular Weight: | 475.67 |
| Molecular Formula: | C27 H29 N3 O S2 |
| Smiles: | CCCN1C/C(=C\c2ccc(cc2)SC)C2=C(C1)C(C(C#N)=C(N)O2)c1ccc(cc1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5772 |
| logD: | 5.5772 |
| logSw: | -5.5841 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.356 |
| InChI Key: | RMDXCEMHNIWKNP-RUZDIDTESA-N |