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Chemical ID: 6632138
Chemical ID:
6632138
Name [?]:
N'-[(3-methoxyphenyl)methyleneamino]-N-[2-(p-tolylcarbamoyl)phenyl]-oxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3cccc(c3)OC
InChi [?]:
InChI=1/C24H22N4O4/c1-16-10-12-18(13-11-16)26-22(29)20-8-3-4-9-21(20)27-23(30)24(31)28-25-15-17-6-5-7-19(14-17)32-2/h3-15H,1-2H3,(H,26,29)(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,32,13,14,27,26,28,12,15,3,7,4,6,30,24,2,25,5,29,11,16,9,18,20,23,8,17,22,10,19,21,31/E:(10,11)(12,13)/rA:32nCCCCCCCNCOCCCCCCNCOCONNCCCCCCCOC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N4O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7172 |
Area: | 676.191 |
Solvation: | -5.18758 |
Coulombic: | -73.407 |
Bond Count [?]
All: | 34 |
Single: | 21 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 430.456 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 4.78 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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