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Chemical ID: 7706132

CCCCc1ccc(cc1)OCC(=O)NN=Cc2cccc(c2)OC(=O)c3ccc(cc3)OC

Chemical ID:

7706132

Name [?]:

None

SMILES [?]:

CCCCc1ccc(cc1)OCC(=O)NN=Cc2cccc(c2)OC(=O)c3ccc(cc3)OC

InChi [?]:

InChI=1/C27H28N2O5/c1-3-4-6-20-9-13-24(14-10-20)33-19-26(30)29-28-18-21-7-5-8-25(17-21)34-27(31)22-11-15-23(32-2)16-12-22/h5,7-18H,3-4,6,19H2,1-2H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,34,2,3,20,4,19,21,6,10,28,32,7,9,29,31,23,17,12,5,18,27,30,8,22,13,25,16,15,14,26,33,11,24/E:(9,10)(11,12)(13,14)(15,16)/rA:34nCCCCCCCCCCOCCONNCCCCCCCOCOCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₈N₂O₅
All Atoms:	62
Heavy Atoms:	34
Chiral Atoms:	None

ZAP Information [?]

Total:	11.6819
Area:	775.673
Solvation:	-7.70994
Coulombic:	-54.0746

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	13
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	7.13
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value