Chemical ID: 6631286

CCOc1ccc(cc1)NC(=O)C(=O)NN=Cc2cccc(c2O)CC=C
Chemical ID:
6631286
Name [?]:
N'-[(3-allyl-2-hydroxy-phenyl)methyleneamino]-N-(4-ethoxyphenyl)-oxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)C(=O)NN=Cc2cccc(c2O)CC=C
InChi [?]:
InChI=1/C20H21N3O4/c1-3-6-14-7-5-8-15(18(14)24)13-21-23-20(26)19(25)22-16-9-11-17(12-10-16)27-4-2/h3,5,7-13,24H,1,4,6H2,2H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:27,1,26,2,20,25,21,19,6,8,5,9,17,22,18,7,4,23,11,13,16,10,15,24,12,14,3/E:(9,10)(11,12)/rA:27nCCOCCCCCCNCOCONNCCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s22;s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.5615
Area:614.418
Solvation:-4.79894
Coulombic:-69.217
Bond Count [?]
All:28
Single:18
Double:10
Rotors:10
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:367.399
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:4.04
LogP (Chemaxon):3.83

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