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Chemical ID: 6644046
Chemical ID:
6644046
Name [?]:
N-[(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-2-(2-methoxyphenoxy)-acetamide
SMILES [?]:
COc1ccccc1OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccccc3
InChi [?]:
InChI=1/C24H24N2O5/c1-28-20-10-6-7-11-21(20)31-17-24(27)26-25-15-19-12-13-22(23(14-19)29-2)30-16-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,23,29,28,30,5,6,27,31,4,7,17,18,21,15,25,10,26,16,3,8,19,20,11,14,13,12,2,22,24,9/E:(4,5)(8,9)/rA:31nCOCCCCCCOCCONNCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.48642 |
Area: | 686.82 |
Solvation: | -11.6841 |
Coulombic: | -46.9774 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 420.458 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.59 |
LogP (Chemaxon): | 4.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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