Chemical ID: 6486973

CCOc1ccc(cc1)NC(=O)C(=O)NN=Cc2cc(c(c(c2)OC)OC)OC
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

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Descriptor Annotations

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