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Chemical ID: 6445790
Chemical ID:
6445790
Name [?]:
4-methoxy-N-[[4-(o-tolylmethoxy)phenyl]methyleneamino]benzamide
SMILES [?]:
Cc1ccccc1COc2ccc(cc2)C=NNC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C23H22N2O3/c1-17-5-3-4-6-20(17)16-28-22-11-7-18(8-12-22)15-24-25-23(26)19-9-13-21(27-2)14-10-19/h3-15H,16H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,28,4,5,3,6,12,14,22,26,11,15,23,25,16,8,2,13,21,7,24,10,19,17,18,20,27,9/E:(7,8)(9,10)(11,12)(13,14)/rA:28nCCCCCCCCOCCCCCCCNNCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.77881 |
Area: | 615.93 |
Solvation: | -5.61945 |
Coulombic: | -36.2143 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.97 |
LogP (Chemaxon): | 4.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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