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Chemical ID: 4290304
Chemical ID:
4290304
Name [?]:
N,N'-bis[(3-ethoxy-4-hydroxy-phenyl)methyleneamino]decanediamide
SMILES [?]:
CCOc1cc(ccc1O)C=NNC(=O)CCCCCCCCC(=O)NN=Cc2ccc(c(c2)OCC)O
InChi [?]:
InChI=1/C28H38N4O6/c1-3-37-25-17-21(13-15-23(25)33)19-29-31-27(35)11-9-7-5-6-8-10-12-28(36)32-30-20-22-14-16-24(34)26(18-22)38-4-2/h13-20,33-34H,3-12H2,1-2H3,(H,31,35)(H,32,36)
InChi Info:
AuxInfo=1/1/N:1,37,2,36,19,20,18,21,17,22,16,23,7,30,8,31,5,34,11,28,6,29,9,32,4,33,14,24,12,27,13,26,10,38,15,25,3,35/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)/gE:(1,2)/rA:38nCCOCCCCCCOCNNCOCCCCCCCCCONNCCCCCCCOCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;s16;s17;s18;s19;s20;s21;s22;s23;d24;s24;s26;w27;s28;s29;d30;s31;d32;d29s33;s33;s35;s36;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H38N4O6 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1767 |
Area: | 890.807 |
Solvation: | -11.0935 |
Coulombic: | -81.3093 |
Bond Count [?]
All: | 39 |
Single: | 29 |
Double: | 10 |
Rotors: | 19 |
Chiral: | 2 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 526.625 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 10 |
XLogP: | 6.86 |
LogP (Chemaxon): | 4.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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