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Chemical ID: 6433853

COc1ccc(cc1)C(=O)Nc2cc(cc(c2)Oc3ccccc3)Oc4ccccc4

Chemical ID:

6433853

Name [?]:

N-(3,5-diphenoxyphenyl)-4-methoxy-benzamide

SMILES [?]:

COc1ccc(cc1)C(=O)Nc2cc(cc(c2)Oc3ccccc3)Oc4ccccc4

InChi [?]:

InChI=1/C26H21NO4/c1-29-21-14-12-19(13-15-21)26(28)27-20-16-24(30-22-8-4-2-5-9-22)18-25(17-20)31-23-10-6-3-7-11-23/h2-18H,1H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,22,29,21,23,28,30,20,24,27,31,5,7,4,8,17,13,15,6,12,3,19,26,16,14,9,11,10,2,18,25/E:(2,3)(4,5,6,7)(8,9,10,11)(12,13)(14,15)(16,17)(22,23)(24,25)(30,31)/rA:31nCOCCCCCCCONCCCCCCOCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s19;d20;s21;d22;d19s23;s14;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₁NO₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4167
Area:	648.277
Solvation:	-4.79023
Coulombic:	-46.3158

Bond Count [?]

All:	34
Single:	21
Double:	13
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	411.449
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.87
LogP (Chemaxon):	5.71

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