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Chemical ID: 6370385

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

Chemical ID:

6370385

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C23H28N4O6/c1-32-20-12-16(8-10-18(20)28)14-24-26-22(30)6-4-3-5-7-23(31)27-25-15-17-9-11-19(29)21(13-17)33-2/h8-15,28-29H,3-7H2,1-2H3,(H,26,30)(H,27,31)

InChi Info:

AuxInfo=1/1/N:1,32,17,16,18,15,19,6,26,7,27,4,30,10,24,5,25,8,28,3,29,13,20,11,23,12,22,9,33,14,21,2,31/E:(1,2)(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)/gE:(1,2)/rA:33nCOCCCCCCOCNNCOCCCCCCONNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s29;s31;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₈N₄O₆
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	7.33753
Area:	753.078
Solvation:	-11.4894
Coulombic:	-79.6565

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	14
Chiral:	2
Rigid Segments:	10

Chemical Properties

Molecular Weight:	456.492
H-Bond Donors:	4
H-Bond Acceptors:	10
XLogP:	4.31
LogP (Chemaxon):	3.1

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value