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Chemical ID: 4823435

COc1cc(ccc1O)C=NNC(=O)CCCCC(=O)NN=Cc2ccc(c(c2)OC)O

Chemical ID:

4823435

Name [?]:

N,N'-bis[(4-hydroxy-3-methoxy-phenyl)methyleneamino]hexanediamide

SMILES [?]:

COc1cc(ccc1O)C=NNC(=O)CCCCC(=O)NN=Cc2ccc(c(c2)OC)O

InChi [?]:

InChI=1/C22H26N4O6/c1-31-19-11-15(7-9-17(19)27)13-23-25-21(29)5-3-4-6-22(30)26-24-14-16-8-10-18(28)20(12-16)32-2/h7-14,27-28H,3-6H2,1-2H3,(H,25,29)(H,26,30)

InChi Info:

AuxInfo=1/1/N:1,31,16,17,15,18,6,25,7,26,4,29,10,23,5,24,8,27,3,28,13,19,11,22,12,21,9,32,14,20,2,30/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)/gE:(1,2)/rA:32nCOCCCCCCOCNNCOCCCCCONNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;s12;d13;s13;s15;s16;s17;s18;d19;s19;s21;w22;s23;s24;d25;s26;d27;d24s28;s28;s30;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₆N₄O₆
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	6.98796
Area:	728.727
Solvation:	-11.2302
Coulombic:	-79.5599

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	13
Chiral:	2
Rigid Segments:	10

Chemical Properties

Molecular Weight:	442.465
H-Bond Donors:	4
H-Bond Acceptors:	10
XLogP:	3.74
LogP (Chemaxon):	2.7

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value