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Chemical ID: 6487105

CCOc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc(c(c2)OCC)OCc3ccccc3

Chemical ID:

6487105

Name [?]:

N'-[(4-benzyloxy-3-ethoxy-phenyl)methyleneamino]-N-(4-ethoxyphenyl)-oxamide

SMILES [?]:

CCOc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc(c(c2)OCC)OCc3ccccc3

InChi [?]:

InChI=1/C26H27N3O5/c1-3-32-22-13-11-21(12-14-22)28-25(30)26(31)29-27-17-20-10-15-23(24(16-20)33-4-2)34-18-19-8-6-5-7-9-19/h5-17H,3-4,18H2,1-2H3,(H,28,30)(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,26,2,25,32,31,33,30,34,19,6,8,5,9,20,23,17,28,29,18,7,4,21,22,11,13,16,10,15,12,14,3,24,27/E:(6,7)(8,9)(11,12)(13,14)/rA:34nCCOCCCCCCNCOCONNCCCCCCCOCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s25;s21;s27;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₇N₃O₅
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0063
Area:	749.993
Solvation:	-7.74356
Coulombic:	-66.6334

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	13
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	461.51
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	5.06
LogP (Chemaxon):	4.68

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