Chemical ID: 4389755

c1ccc(cc1)c2c3c([nH]n2)OC(=C(C3c4cccnc4)C#N)N
Chemical ID:
4389755
Name [?]:
4-amino-9-phenyl-2-(3-pyridyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-carbonitrile
SMILES [?]:
c1ccc(cc1)c2c3c([nH]n2)OC(=C(C3c4cccnc4)C#N)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H13N5O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.12231
Area:468.093
Solvation:-3.58
Coulombic:-42.428
Bond Count [?]
All:27
Single:17
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:315.329
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.08
LogP (Chemaxon):2.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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