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Chemical ID: 6647199

CCc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccc(cc3)OC

Chemical ID:

6647199

Name [?]:

[4-[[2-(4-ethylphenoxy)acetyl]aminoiminomethyl]-2-methoxy-phenyl] 4-methoxybenzoate

SMILES [?]:

CCc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccc(cc3)OC

InChi [?]:

InChI=1/C26H26N2O6/c1-4-18-5-10-22(11-6-18)33-17-25(29)28-27-16-19-7-14-23(24(15-19)32-3)34-26(30)20-8-12-21(31-2)13-9-20/h5-16H,4,17H2,1-3H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,34,23,2,4,8,17,28,32,5,7,29,31,18,21,15,10,3,16,27,30,6,19,20,11,25,14,13,12,26,33,22,9,24/E:(5,6)(8,9)(10,11)(12,13)/rA:34nCCCCCCCCOCCONNCCCCCCCOCOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₆N₂O₆
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	9.6781
Area:	742.062
Solvation:	-8.87346
Coulombic:	-60.4521

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	12
Chiral:	1
Rigid Segments:	10

Chemical Properties

Molecular Weight:	462.495
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	5.64
LogP (Chemaxon):	4.6

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