Chemical ID: 4541924

CCOc1ccccc1NC(=O)C(=O)NN=Cc2cccc(c2)Cl
Chemical ID:
4541924
Name [?]:
N'-[(3-chlorophenyl)methyleneamino]-N-(2-ethoxyphenyl)-oxamide
SMILES [?]:
CCOc1ccccc1NC(=O)C(=O)NN=Cc2cccc(c2)Cl
InChi [?]:
InChI=1/C17H16ClN3O3/c1-2-24-15-9-4-3-8-14(15)20-16(22)17(23)21-19-11-12-6-5-7-13(18)10-12/h3-11H,2H2,1H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,20,19,21,8,5,23,17,18,22,9,4,11,13,24,16,10,15,12,14,3/rA:24nCCOCCCCCCNCOCONNCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClN3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.4991
Area:565.724
Solvation:-3.64399
Coulombic:-53.3554
Bond Count [?]
All:25
Single:16
Double:9
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:345.78
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.99
LogP (Chemaxon):3.59

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