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Chemical ID: 6722666
Chemical ID:
6722666
Name [?]:
N-benzylideneamino-4-[(4-methylphenoxy)methyl]benzamide
SMILES [?]:
Cc1ccc(cc1)OCc2ccc(cc2)C(=O)NN=Cc3ccccc3
InChi [?]:
InChI=1/C22H20N2O2/c1-17-7-13-21(14-8-17)26-16-19-9-11-20(12-10-19)22(25)24-23-15-18-5-3-2-4-6-18/h2-15H,16H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,26,3,7,11,15,12,14,4,6,20,9,2,21,10,13,5,16,19,18,17,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:26nCCCCCCCOCCCCCCCCONNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2O2 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2352 |
Area: | 585.107 |
Solvation: | -4.39249 |
Coulombic: | -30.0903 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 344.406 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.06 |
LogP (Chemaxon): | 5.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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