Chemical ID: 5807489

COc1ccc(c(c1OC)OC)C2c3c(n[nH]c3OC(=C2C#N)N)c4ccccn4
Chemical ID:
5807489
Name [?]:
4-amino-9-(2-pyridyl)-2-(2,3,4-trimethoxyphenyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-carbonitrile
SMILES [?]:
COc1ccc(c(c1OC)OC)C2c3c(n[nH]c3OC(=C2C#N)N)c4ccccn4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19N5O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:6.95836
Area:534.544
Solvation:-6.40523
Coulombic:-65.0061
Bond Count [?]
All:33
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:405.407
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.51
LogP (Chemaxon):1.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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