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Chemical ID: 4220860
Chemical ID:
4220860
Name [?]:
N'-(2,4-dimethylphenyl)-N-[(4-ethoxyphenyl)methyleneamino]oxamide
SMILES [?]:
CCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccc(cc2C)C
InChi [?]:
InChI=1/C19H21N3O3/c1-4-25-16-8-6-15(7-9-16)12-20-22-19(24)18(23)21-17-10-5-13(2)11-14(17)3/h5-12H,4H2,1-3H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,24,2,20,6,8,5,9,19,22,10,21,23,7,4,18,15,13,11,17,12,16,14,3/E:(6,7)(8,9)/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;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5038 |
Area: | 576.22 |
Solvation: | -3.90172 |
Coulombic: | -51.9989 |
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: | 4.03 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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