Chemical ID: 5806903

c1cc(ccc1c2c3c([nH]n2)OC(=C(C3c4ccc5c(c4)OCO5)C#N)N)F
Chemical ID:
5806903
Name [?]:
4-amino-2-benzo[1,3]dioxol-5-yl-9-(4-fluorophenyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-carbonitrile
SMILES [?]:
c1cc(ccc1c2c3c([nH]n2)OC(=C(C3c4ccc5c(c4)OCO5)C#N)N)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H13FN4O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:7.23505
Area:509.7
Solvation:-5.50746
Coulombic:-57.329
Bond Count [?]
All:32
Single:22
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:376.341
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.25
LogP (Chemaxon):3.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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