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Chemical ID: 6414400
Chemical ID:
6414400
Name [?]:
N-(2,4-dimethylphenyl)-N'-[(3-methoxyphenyl)methyleneamino]oxamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)C(=O)NN=Cc2cccc(c2)OC
InChi [?]:
InChI=1/C18H19N3O3/c1-12-7-8-16(13(2)9-12)20-17(22)18(23)21-19-11-14-5-4-6-15(10-14)24-3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,8,24,19,18,20,3,4,7,22,16,2,6,17,21,5,10,12,15,9,14,11,13,23/rA:24nCCCCCCCCNCOCONNCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67748 |
Area: | 545.862 |
Solvation: | -3.96908 |
Coulombic: | -51.7469 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 325.362 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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