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Chemical ID: 6174064
Chemical ID:
6174064
Name [?]:
N'-(3,4-dimethylphenyl)-N-[(4-ethoxyphenyl)methyleneamino]oxamide
SMILES [?]:
CCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccc(c(c2)C)C
InChi [?]:
InChI=1/C19H21N3O3/c1-4-25-17-9-6-15(7-10-17)12-20-22-19(24)18(23)21-16-8-5-13(2)14(3)11-16/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,24,2,20,6,8,19,5,9,23,10,21,22,7,18,4,15,13,11,17,12,16,14,3/E:(6,7)(9,10)/rA:25nCCOCCCCCCCNNCOCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5012 |
Area: | 577.217 |
Solvation: | -3.92919 |
Coulombic: | -51.8641 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 339.388 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.24 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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