Chemical ID: 5807407

c1cc(ccc1c2c3c([nH]n2)OC(=C(C3c4ccc(cc4Cl)Cl)C#N)N)F
Chemical ID:
5807407
Name [?]:
4-amino-2-(2,4-dichlorophenyl)-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(C3c4ccc(cc4Cl)Cl)C#N)N)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H11Cl2FN4O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.46179
Area:524.226
Solvation:-3.64386
Coulombic:-42.7767
Bond Count [?]
All:30
Single:20
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:401.221
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.74
LogP (Chemaxon):4.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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