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Chemical ID: 6391853
Chemical ID:
6391853
Name [?]:
N-[(3-benzyloxyphenyl)methyleneamino]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NN=Cc2cccc(c2)OCc3ccccc3
InChi [?]:
InChI=1/C22H20N2O2/c1-17-10-12-20(13-11-17)22(25)24-23-15-19-8-5-9-21(14-19)26-16-18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,15,22,26,14,16,3,7,4,6,18,12,20,2,21,13,5,17,8,11,10,9,19/E:(3,4)(6,7)(10,11)(12,13)/rA:26nCCCCCCCCONNCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1553 |
Area: | 583.547 |
Solvation: | -4.43334 |
Coulombic: | -29.9518 |
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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