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Chemical ID: 4155276
Chemical ID:
4155276
Name [?]:
3-(4-benzyloxy-3-methoxy-phenyl)-N-(3-methoxyphenyl)-prop-2-enamide
SMILES [?]:
COc1cccc(c1)NC(=O)C=Cc2ccc(c(c2)OC)OCc3ccccc3
InChi [?]:
InChI=1/C24H23NO4/c1-27-21-10-6-9-20(16-21)25-24(26)14-12-18-11-13-22(23(15-18)28-2)29-17-19-7-4-3-5-8-19/h3-16H,17H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,21,27,26,28,5,25,29,6,4,15,13,16,12,19,8,23,14,24,7,3,17,18,10,9,11,2,20,22/E:(4,5)(7,8)/rA:29nCOCCCCCCNCOCCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23NO4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.35008 |
Area: | 634.009 |
Solvation: | -7.50014 |
Coulombic: | -44.0971 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 389.444 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.45 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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