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Chemical ID: 6486973
Chemical ID:
6486973
Name [?]:
N-(4-ethoxyphenyl)-N'-[(3,4,5-trimethoxyphenyl)methyleneamino]oxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)C(=O)NN=Cc2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C20H23N3O6/c1-5-29-15-8-6-14(7-9-15)22-19(24)20(25)23-21-12-13-10-16(26-2)18(28-4)17(11-13)27-3/h6-12H,5H2,1-4H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,25,29,27,2,6,8,5,9,23,19,17,18,7,4,22,20,21,11,13,16,10,15,12,14,24,28,26,3/E:(2,3)(6,7)(8,9)(10,11)(16,17)(26,27)/rA:29nCCOCCCCCCNCOCONNCCCCCCCOCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s20;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O6 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.16973 |
Area: | 625.538 |
Solvation: | -8.46872 |
Coulombic: | -71.3635 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 401.413 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 2.71 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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