Chemical ID: 5807485

CCOc1c(cccc1OC)C2c3c(n[nH]c3OC(=C2C#N)N)c4ccccn4
Chemical ID:
5807485
Name [?]:
4-amino-2-(2-ethoxy-3-methoxy-phenyl)-9-(2-pyridyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-carbonitrile
SMILES [?]:
CCOc1c(cccc1OC)C2c3c(n[nH]c3OC(=C2C#N)N)c4ccccn4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19N5O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.64507
Area:540.566
Solvation:-4.86907
Coulombic:-58.1995
Bond Count [?]
All:32
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:389.407
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.15
LogP (Chemaxon):2.52

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue