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Chemical ID: 7038098
Chemical ID:
7038098
Name [?]:
N-[(3-ethoxy-4-methoxy-phenyl)-(4-methoxybenzoyl)amino-methyl]-4-methoxy-benzamide
SMILES [?]:
CCOc1cc(ccc1OC)C(NC(=O)c2ccc(cc2)OC)NC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C26H28N2O6/c1-5-34-23-16-19(10-15-22(23)33-4)24(27-25(29)17-6-11-20(31-2)12-7-17)28-26(30)18-8-13-21(32-3)14-9-18/h6-16,24H,5H2,1-4H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,23,34,11,2,17,21,28,32,7,18,20,29,31,8,5,16,27,6,19,30,9,4,12,14,25,13,24,15,26,22,33,10,3/E:(2,3)(6,7,8,9)(11,12,13,14)(17,18)(20,21)(25,26)(27,28)(29,30)(31,32)/gE:(1,2)/rA:34nCCOCCCCCCOCCNCOCCCCCCOCNCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s12;s24;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2O6 |
All Atoms: | 62 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.8512 |
Area: | 727.13 |
Solvation: | -9.32706 |
Coulombic: | -72.2223 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 464.51 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 4.41 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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