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Chemical ID: 6631826
Chemical ID:
6631826
Name [?]:
N'-[(2-hydroxy-5-methoxy-phenyl)methyleneamino]-N-[2-(p-tolylcarbamoyl)phenyl]-oxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3cc(ccc3O)OC
InChi [?]:
InChI=1/C24H22N4O5/c1-15-7-9-17(10-8-15)26-22(30)19-5-3-4-6-20(19)27-23(31)24(32)28-25-14-16-13-18(33-2)11-12-21(16)29/h3-14,29H,1-2H3,(H,26,30)(H,27,31)(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,33,13,14,12,15,3,7,4,6,28,29,26,24,2,25,5,27,11,16,30,9,18,20,23,8,17,22,31,10,19,21,32/E:(7,8)(9,10)/rA:33nCCCCCCCNCOCCCCCCNCOCONNCCCCCCCOOC/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;s30;s27;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N4O5 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0896 |
Area: | 683.953 |
Solvation: | -6.00919 |
Coulombic: | -88.4204 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 446.455 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 9 |
XLogP: | 4.37 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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