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Chemical ID: 6375657

CCOc1ccccc1C=NNC(=O)CCCCCC(=O)NN=Cc2ccccc2OCC

Chemical ID:

6375657

Name [?]:

N,N'-bis[(2-ethoxyphenyl)methyleneamino]heptanediamide

SMILES [?]:

CCOc1ccccc1C=NNC(=O)CCCCCC(=O)NN=Cc2ccccc2OCC

InChi [?]:

InChI=1/C25H32N4O4/c1-3-32-22-14-10-8-12-20(22)18-26-28-24(30)16-6-5-7-17-25(31)29-27-19-21-13-9-11-15-23(21)33-4-2/h8-15,18-19H,3-7,16-17H2,1-2H3,(H,28,30)(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,33,2,32,17,16,18,7,27,6,28,8,26,5,29,15,19,10,24,9,25,4,30,13,20,11,23,12,22,14,21,3,31/E:(1,2)(3,4)(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:33nCCOCCCCCCCNNCOCCCCCCONNCCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₂N₄O₄
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1854
Area:	772.848
Solvation:	-8.13577
Coulombic:	-51.1108

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	16
Chiral:	2
Rigid Segments:	10

Chemical Properties

Molecular Weight:	452.546
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	5.96
LogP (Chemaxon):	4.35

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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