Chemical ID: 4468969

COc1cc(cc(c1)OC)C(=O)Nc2ccc(cc2)CC#N
Chemical ID:
4468969
Name [?]:
N-[4-(cyanomethyl)phenyl]-3,5-dimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)Nc2ccc(cc2)CC#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H16N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.56504
Area:518.963
Solvation:-5.40903
Coulombic:-37.1288
Bond Count [?]
All:23
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:296.321
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.36
LogP (Chemaxon):2.57

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