Chemical ID: 5806688

COc1ccc(cc1OC)c2c3c([nH]n2)OC(=C(C3c4c[nH]nc4c5ccc(cc5)F)C#N)N
Chemical ID:
5806688
Name [?]:
4-amino-9-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-carbonitrile
SMILES [?]:
COc1ccc(cc1OC)c2c3c([nH]n2)OC(=C(C3c4c[nH]nc4c5ccc(cc5)F)C#N)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H19FN6O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:6.28196
Area:593.157
Solvation:-8.54697
Coulombic:-62.7188
Bond Count [?]
All:38
Single:26
Double:11
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:458.445
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.6
LogP (Chemaxon):3.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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