Chemical ID: 5806587

COc1ccc(cc1)c2c3c([nH]n2)OC(=C(C3c4c[nH]nc4c5ccc(cc5)F)C#N)N
Chemical ID:
5806587
Name [?]:
4-amino-2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-9-(4-methoxyphenyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-carbonitrile
SMILES [?]:
COc1ccc(cc1)c2c3c([nH]n2)OC(=C(C3c4c[nH]nc4c5ccc(cc5)F)C#N)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H17FN6O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:8.04504
Area:570.449
Solvation:-6.21618
Coulombic:-56.9837
Bond Count [?]
All:36
Single:24
Double:11
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:428.419
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.95
LogP (Chemaxon):3.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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