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Chemical ID: 6631286
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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