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Chemical ID: 6401206
Chemical ID:
6401206
Name [?]:
N,N'-bis[(2-ethoxyphenyl)methyleneamino]octanediamide
SMILES [?]:
CCOc1ccccc1C=NNC(=O)CCCCCCC(=O)NN=Cc2ccccc2OCC
InChi [?]:
InChI=1/C26H34N4O4/c1-3-33-23-15-11-9-13-21(23)19-27-29-25(31)17-7-5-6-8-18-26(32)30-28-20-22-14-10-12-16-24(22)34-4-2/h9-16,19-20H,3-8,17-18H2,1-2H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,34,2,33,17,18,16,19,7,28,6,29,8,27,5,30,15,20,10,25,9,26,4,31,13,21,11,24,12,23,14,22,3,32/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)/gE:(1,2)/rA:34nCCOCCCCCCCNNCOCCCCCCCONNCCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;d21;s21;s23;w24;s25;s26;d27;s28;d29;d26s30;s31;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H34N4O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1583 |
Area: | 802.584 |
Solvation: | -7.90626 |
Coulombic: | -51.7093 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 17 |
Chiral: | 2 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 466.573 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 6.53 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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