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Chemical ID: 4532183
Chemical ID:
4532183
Name [?]:
N'-[(2,5-dimethoxyphenyl)methyleneamino]-N-(p-tolyl)oxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)C(=O)NN=Cc2cc(ccc2OC)OC
InChi [?]:
InChI=1/C18H19N3O4/c1-12-4-6-14(7-5-12)20-17(22)18(23)21-19-11-13-10-15(24-2)8-9-16(13)25-3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,23,3,7,4,6,19,20,17,15,2,16,5,18,21,9,11,14,8,13,10,12,24,22/E:(4,5)(6,7)/rA:25nCCCCCCCNCOCONNCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s18;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.71114 |
Area: | 556.629 |
Solvation: | -5.20459 |
Coulombic: | -58.0835 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 341.361 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.29 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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