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Chemical ID: 6925311

CCc1ccc(cc1)OCC(=O)NN=C(C)c2ccc(c(c2)OC)OCc3ccccc3

Chemical ID:

6925311

Name [?]:

N-[1-(4-benzyloxy-3-methoxy-phenyl)ethylideneamino]-2-(4-ethylphenoxy)-acetamide

SMILES [?]:

CCc1ccc(cc1)OCC(=O)NN=C(C)c2ccc(c(c2)OC)OCc3ccccc3

InChi [?]:

InChI=1/C26H28N2O4/c1-4-20-10-13-23(14-11-20)31-18-26(29)28-27-19(2)22-12-15-24(25(16-22)30-3)32-17-21-8-6-5-7-9-21/h5-16H,4,17-18H2,1-3H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,16,24,2,30,29,31,28,32,4,8,18,5,7,19,22,26,10,15,3,27,17,6,20,21,11,14,13,12,23,9,25/E:(6,7)(8,9)(10,11)(13,14)/rA:32nCCCCCCCCOCCONNCCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₈N₂O₄
All Atoms:	60
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	9.0902
Area:	724.639
Solvation:	-9.02579
Coulombic:	-41.5945

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	11
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	432.512
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.99
LogP (Chemaxon):	4.78

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