Chemical ID: 5279342

CCCOc1ccc(cc1)C2c3c(n[nH]c3OC(=C2C#N)N)c4ccc(cc4)OCC
Chemical ID:
5279342
Name [?]:
4-amino-9-(4-ethoxyphenyl)-2-(4-propoxyphenyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-carbonitrile
SMILES [?]:
CCCOc1ccc(cc1)C2c3c(n[nH]c3OC(=C2C#N)N)c4ccc(cc4)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H24N4O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.2177
Area:621.976
Solvation:-5.33175
Coulombic:-53.3663
Bond Count [?]
All:34
Single:24
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:416.473
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.36
LogP (Chemaxon):4.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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