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Chemical ID: 6319012

c1ccc(cc1)Oc2ccc(cc2)NC(=O)CCC(=O)Nc3ccc(cc3)Oc4ccccc4

Chemical ID:

6319012

Name [?]:

N,N'-bis(4-phenoxyphenyl)butanediamide

SMILES [?]:

c1ccc(cc1)Oc2ccc(cc2)NC(=O)CCC(=O)Nc3ccc(cc3)Oc4ccccc4

InChi [?]:

InChI=1/C28H24N2O4/c31-27(29-21-11-15-25(16-12-21)33-23-7-3-1-4-8-23)19-20-28(32)30-22-13-17-26(18-14-22)34-24-9-5-2-6-10-24/h1-18H,19-20H2,(H,29,31)(H,30,32)

InChi Info:

AuxInfo=1/1/N:1,32,2,6,31,33,3,5,30,34,10,12,23,27,9,13,24,26,17,18,11,22,4,29,8,25,15,19,14,21,16,20,7,28/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14)(15,16,17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/gE:(1,2)/rA:34nCCCCCCOCCCCCCNCOCCCONCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₄N₂O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8924
Area:	714.273
Solvation:	-4.96444
Coulombic:	-56.8035

Bond Count [?]

All:	37
Single:	23
Double:	14
Rotors:	11
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	452.501
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.96
LogP (Chemaxon):	5.56

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