2-amino-6-ethyl-4-[4-(methylsulfanyl)phenyl]-8-{[4-(methylsulfanyl)phenyl]methylidene}-1,4,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-6-ethyl-4-[4-(methylsulfanyl)phenyl]-8-{[4-(methylsulfanyl)phenyl]methylidene}-1,4,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile
2-amino-6-ethyl-4-[4-(methylsulfanyl)phenyl]-8-{[4-(methylsulfanyl)phenyl]methylidene}-1,4,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-0339 |
| Compound Name: | 2-amino-6-ethyl-4-[4-(methylsulfanyl)phenyl]-8-{[4-(methylsulfanyl)phenyl]methylidene}-1,4,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile |
| Molecular Weight: | 460.66 |
| Molecular Formula: | C26 H28 N4 S2 |
| Smiles: | CCN1C/C(=C\c2ccc(cc2)SC)C2=C(C1)C(C(C#N)=C(N)N2)c1ccc(cc1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8997 |
| logD: | 4.8997 |
| logSw: | -4.6424 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 52.693 |
| InChI Key: | ULMXWQNSCKIHAV-XMMPIXPASA-N |