Chemical ID: 5179671

CCC1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCC
Chemical ID:
5179671
Name [?]:
ethyl 6-amino-5,7,7-tricyano-8-ethyl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
SMILES [?]:
CCC1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H19N5O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:9.96026
Area:519.429
Solvation:-3.02545
Coulombic:-55.2263
Bond Count [?]
All:25
Single:19
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:325.365
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.81
LogP (Chemaxon):0.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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