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Chemical ID: 4297177
Chemical ID:
4297177
Name [?]:
N'-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyleneamino]oxamide
SMILES [?]:
COc1ccc(cc1OC)C=NNC(=O)C(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H16ClN3O4/c1-24-14-8-3-11(9-15(14)25-2)10-19-21-17(23)16(22)20-13-6-4-12(18)5-7-13/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,10,5,21,23,20,24,4,7,11,6,22,19,3,8,16,14,25,12,18,13,17,15,2,9/E:(4,5)(6,7)/rA:25nCOCCCCCCOCCNNCOCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16ClN3O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.19418 |
Area: | 578.391 |
Solvation: | -6.26561 |
Coulombic: | -57.9874 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 361.779 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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