Chemical ID: 4866544

COc1cccc(c1)C2C=C(Nc3n2nnn3)c4ccc(cc4OC)OC
Chemical ID:
4866544
Name [?]:
3-(2,4-dimethoxyphenyl)-5-(3-methoxyphenyl)-2,6,7,8,9-pentazabicyclo[4.3.0]nona-3,7,9-triene
SMILES [?]:
COc1cccc(c1)C2C=C(Nc3n2nnn3)c4ccc(cc4OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H19N5O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:8.73416
Area:568.416
Solvation:-5.47624
Coulombic:-40.3919
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:365.386
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.03
LogP (Chemaxon):2.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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