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Chemical ID: 4815076
Chemical ID:
4815076
Name [?]:
N,N'-bis[(4-hydroxy-3-methoxy-phenyl)methyleneamino]octanediamide
SMILES [?]:
COc1cc(ccc1O)C=NNC(=O)CCCCCCC(=O)NN=Cc2ccc(c(c2)OC)O
InChi [?]:
InChI=1/C24H30N4O6/c1-33-21-13-17(9-11-19(21)29)15-25-27-23(31)7-5-3-4-6-8-24(32)28-26-16-18-10-12-20(30)22(14-18)34-2/h9-16,29-30H,3-8H2,1-2H3,(H,27,31)(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,33,17,18,16,19,15,20,6,27,7,28,4,31,10,25,5,26,8,29,3,30,13,21,11,24,12,23,9,34,14,22,2,32/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:34nCOCCCCCCOCNNCOCCCCCCCONNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;d21;s21;s23;w24;s25;s26;d27;s28;d29;d26s30;s30;s32;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H30N4O6 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.20904 |
Area: | 779.72 |
Solvation: | -11.284 |
Coulombic: | -80.1644 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 15 |
Chiral: | 2 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 470.518 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 10 |
XLogP: | 4.88 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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