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Chemical ID: 7038098

CCOc1cc(ccc1OC)C(NC(=O)c2ccc(cc2)OC)NC(=O)c3ccc(cc3)OC

Chemical ID:

7038098

Name [?]:

N-[(3-ethoxy-4-methoxy-phenyl)-(4-methoxybenzoyl)amino-methyl]-4-methoxy-benzamide

SMILES [?]:

CCOc1cc(ccc1OC)C(NC(=O)c2ccc(cc2)OC)NC(=O)c3ccc(cc3)OC

InChi [?]:

InChI=1/C26H28N2O6/c1-5-34-23-16-19(10-15-22(23)33-4)24(27-25(29)17-6-11-20(31-2)12-7-17)28-26(30)18-8-13-21(32-3)14-9-18/h6-16,24H,5H2,1-4H3,(H,27,29)(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,23,34,11,2,17,21,28,32,7,18,20,29,31,8,5,16,27,6,19,30,9,4,12,14,25,13,24,15,26,22,33,10,3/E:(2,3)(6,7,8,9)(11,12,13,14)(17,18)(20,21)(25,26)(27,28)(29,30)(31,32)/gE:(1,2)/rA:34nCCOCCCCCCOCCNCOCCCCCCOCNCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s12;s24;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₈N₂O₆
All Atoms:	62
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	8.8512
Area:	727.13
Solvation:	-9.32706
Coulombic:	-72.2223

Bond Count [?]

All:	36
Single:	25
Double:	11
Rotors:	12
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	464.51
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	4.41
LogP (Chemaxon):	3.16

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