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Chemical ID: 4130297

CCOc1cc(ccc1OC(=O)c2ccc(cc2)OC)C=NNC(=O)COc3ccc(cc3)OC

Chemical ID:

4130297

Name [?]:

[2-ethoxy-4-[[2-(4-methoxyphenoxy)acetyl]aminoiminomethyl]phenyl] 4-methoxybenzoate

SMILES [?]:

CCOc1cc(ccc1OC(=O)c2ccc(cc2)OC)C=NNC(=O)COc3ccc(cc3)OC

InChi [?]:

InChI=1/C26H26N2O7/c1-4-33-24-15-18(5-14-23(24)35-26(30)19-6-8-20(31-2)9-7-19)16-27-28-25(29)17-34-22-12-10-21(32-3)11-13-22/h5-16H,4,17H2,1-3H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,20,35,2,7,14,18,15,17,30,32,29,33,8,5,21,26,6,13,16,31,28,9,4,24,11,22,23,25,12,19,34,3,27,10/E:(6,7)(8,9)(10,11)(12,13)/rA:35nCCOCCCCCCOCOCCCCCCOCCNNCOCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s6;w21;s22;s23;d24;s24;s26;s27;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₆N₂O₇
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	8.89308
Area:	758.833
Solvation:	-10.0778
Coulombic:	-66.6327

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	13
Chiral:	1
Rigid Segments:	10

Chemical Properties

Molecular Weight:	478.494
H-Bond Donors:	1
H-Bond Acceptors:	9
XLogP:	5.08
LogP (Chemaxon):	3.83

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

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

Chemical Mix	Source	External ID	Descriptor	Value