Chemical ID: 5700627

COc1ccc(cc1)C2C=C(N=C3N2N=NN3)c4ccc(cc4)OC
Chemical ID:
5700627
Name [?]:
3,5-bis(4-methoxyphenyl)-2,6,7,8,9-pentazabicyclo[4.3.0]nona-1,3,7-triene
SMILES [?]:
COc1ccc(cc1)C2C=C(N=C3N2N=NN3)c4ccc(cc4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H17N5O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:8.54076
Area:537.067
Solvation:-4.88591
Coulombic:-32.8954
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.36
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.2
LogP (Chemaxon):3.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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