Chemical ID: 4306235

CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)c3ccsc3
Chemical ID:
4306235
Name [?]:
6-amino-2-propyl-8-(3-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
SMILES [?]:
CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)c3ccsc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H19N5S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:3
ZAP Information [?]
Total:10.9782
Area:547.687
Solvation:-2.71398
Coulombic:-31.9525
Bond Count [?]
All:27
Single:20
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:349.454
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.86
LogP (Chemaxon):1.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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