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Chemical ID: 4378857

COc1ccc(cc1)OCC(=O)Nc2ccc(cc2NC(=O)COc3ccc(cc3)OC)C(=O)O

Chemical ID:

4378857

Name [?]:

3,4-bis[[2-(4-methoxyphenoxy)acetyl]amino]benzoic acid

SMILES [?]:

COc1ccc(cc1)OCC(=O)Nc2ccc(cc2NC(=O)COc3ccc(cc3)OC)C(=O)O

InChi [?]:

InChI=1/C25H24N2O8/c1-32-17-4-8-19(9-5-17)34-14-23(28)26-21-12-3-16(25(30)31)13-22(21)27-24(29)15-35-20-10-6-18(33-2)7-11-20/h3-13H,14-15H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,32,16,4,8,27,29,5,7,26,30,15,18,10,23,17,3,28,6,25,14,19,11,21,33,13,20,12,22,34,35,2,31,9,24/E:(4,5)(6,7)(8,9)(10,11)(30,31)/rA:35nCOCCCCCCOCCONCCCCCCNCOCOCCCCCCOCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s28;s31;s17;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₄N₂O₈
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	7.60009
Area:	747.472
Solvation:	-11.0867
Coulombic:	-95.137

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	13
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	480.467
H-Bond Donors:	3
H-Bond Acceptors:	10
XLogP:	2.77
LogP (Chemaxon):	2.72

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