Chemical ID: 5763635

CCCCOc1ccc(cc1OC)C2C3=C(C(=O)CCC3)OC(=C2C#N)N
Chemical ID:
5763635
Name [?]:
2-amino-4-(4-butoxy-3-methoxy-phenyl)-8-oxo-4,5,6,7-tetrahydrochromene-3-carbonitrile
SMILES [?]:
CCCCOc1ccc(cc1OC)C2C3=C(C(=O)CCC3)OC(=C2C#N)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H24N2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:7.59114
Area:591.299
Solvation:-7.19133
Coulombic:-48.9131
Bond Count [?]
All:29
Single:22
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:368.426
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.69
LogP (Chemaxon):3.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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