6-amino-2-ethyl-8-[4-(methylsulfanyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
					Chemical Structure Depiction of
6-amino-2-ethyl-8-[4-(methylsulfanyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
			6-amino-2-ethyl-8-[4-(methylsulfanyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8008-3009 | 
| Compound Name: | 6-amino-2-ethyl-8-[4-(methylsulfanyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile | 
| Molecular Weight: | 375.49 | 
| Molecular Formula: | C21 H21 N5 S | 
| Smiles: | CCN1CC=C2C(C1)C(c1ccc(cc1)SC)C(C#N)(C#N)C(=C2C#N)N | 
| Stereo: | MIXTURE OF STEREOISOMERS | 
| logP: | 3.048 | 
| logD: | 3.0477 | 
| logSw: | -3.1018 | 
| Hydrogen bond acceptors count: | 5 | 
| Hydrogen bond donors count: | 2 | 
| Polar surface area: | 75.825 | 
| InChI Key: | GGBSXWZQGOBIFI-UHFFFAOYSA-N | 
 
				 
				