Chemical ID: 6632168

Cc1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3cc(c(c(c3)OC)OC)OC
Chemical ID:
6632168
Name [?]:
N-[2-(p-tolylcarbamoyl)phenyl]-N'-[(3,4,5-trimethoxyphenyl)methyleneamino]oxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C26H26N4O6/c1-16-9-11-18(12-10-16)28-24(31)19-7-5-6-8-20(19)29-25(32)26(33)30-27-15-17-13-21(34-2)23(36-4)22(14-17)35-3/h5-15H,1-4H3,(H,28,31)(H,29,32)(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,32,36,34,13,14,12,15,3,7,4,6,30,26,24,2,25,5,11,16,29,27,28,9,18,20,23,8,17,22,10,19,21,31,35,33/E:(2,3)(9,10)(11,12)(13,14)(21,22)(34,35)/rA:36nCCCCCCCNCOCCCCCCNCOCONNCCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;d18;s18;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s29;s31;s28;s33;s27;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26N4O6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:9.65779
Area:721.453
Solvation:-8.37853
Coulombic:-86.4036
Bond Count [?]
All:38
Single:25
Double:13
Rotors:12
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:490.508
H-Bond Donors:3
H-Bond Acceptors:10
XLogP:4.2
LogP (Chemaxon):3.74

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