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Chemical ID: 5853018
Chemical ID:
5853018
Name [?]:
N'-[(3,4-dimethoxyphenyl)methyleneamino]-N-(3,4-dimethylphenyl)-oxamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)C(=O)NN=Cc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C19H21N3O4/c1-12-5-7-15(9-13(12)2)21-18(23)19(24)22-20-11-14-6-8-16(25-3)17(10-14)26-4/h5-11H,1-4H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,8,26,24,3,18,4,19,6,22,16,2,7,17,5,20,21,10,12,15,9,14,11,13,25,23/rA:26nCCCCCCCCNCOCONNCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N3O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.29552 |
Area: | 582.088 |
Solvation: | -6.25669 |
Coulombic: | -57.5381 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 355.388 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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