Chemical ID: 4235266

COc1ccc(cc1)C2C=C(Nc3n2nnn3)c4ccc(cc4)OC
Chemical ID:
4235266
Name [?]:
3,5-bis(4-methoxyphenyl)-2,6,7,8,9-pentazabicyclo[4.3.0]nona-3,7,9-triene
SMILES [?]:
COc1ccc(cc1)C2C=C(Nc3n2nnn3)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:8.86837
Area:535.844
Solvation:-4.52773
Coulombic:-33.7495
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:3
XLogP:3.12
LogP (Chemaxon):2.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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