Chemical ID: 4645520

CCCOc1ccc(cc1OCC)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N
Chemical ID:
4645520
Name [?]:
2-amino-4-(3-ethoxy-4-propoxy-phenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
SMILES [?]:
CCCOc1ccc(cc1OCC)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H26N4O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:10.15
Area:629.107
Solvation:-5.57763
Coulombic:-41.6516
Bond Count [?]
All:32
Single:24
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:402.489
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.57
LogP (Chemaxon):2.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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