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Chemical ID: 5791288
Chemical ID:
5791288
Name [?]:
N-(4-chloro-2-methyl-phenyl)-N'-[(2,5-dimethoxyphenyl)methyleneamino]oxamide
SMILES [?]:
Cc1cc(ccc1NC(=O)C(=O)NN=Cc2cc(ccc2OC)OC)Cl
InChi [?]:
InChI=1/C18H18ClN3O4/c1-11-8-13(19)4-6-15(11)21-17(23)18(24)22-20-10-12-9-14(25-2)5-7-16(12)26-3/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,23,5,19,6,20,3,17,15,2,16,4,18,7,21,9,11,26,14,8,13,10,12,24,22/rA:26nCCCCCCCNCOCONNCCCCCCCOCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s18;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClN3O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69626 |
Area: | 589.415 |
Solvation: | -5.03912 |
Coulombic: | -58.3842 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 375.806 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.7 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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