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Chemical ID: 6631118
Chemical ID:
6631118
Name [?]:
N-(4-ethoxyphenyl)-N'-[(2-hydroxy-5-methoxy-phenyl)methyleneamino]oxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)C(=O)NN=Cc2cc(ccc2O)OC
InChi [?]:
InChI=1/C18H19N3O5/c1-3-26-14-6-4-13(5-7-14)20-17(23)18(24)21-19-11-12-10-15(25-2)8-9-16(12)22/h4-11,22H,3H2,1-2H3,(H,20,23)(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,26,2,6,8,5,9,21,22,19,17,18,7,4,20,23,11,13,16,10,15,24,12,14,25,3/E:(4,5)(6,7)/rA:26nCCOCCCCCCNCOCONNCCCCCCCOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.40493 |
Area: | 582.801 |
Solvation: | -6.1651 |
Coulombic: | -73.22 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 357.361 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 2.87 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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