Chemical ID: 5622595

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(=O)Oc3ccc(cc3)c4ccc(cc4)C#N
Chemical ID:
5622595
Name [?]:
[4-(4-cyanophenyl)phenyl] 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate
SMILES [?]:
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(=O)Oc3ccc(cc3)c4ccc(cc4)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H17N5O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.8666
Area:643.79
Solvation:-4.2281
Coulombic:-70.4025
Bond Count [?]
All:34
Single:22
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:415.402
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.44
LogP (Chemaxon):3.17

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