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Chemical ID: 6628336

CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)COc3ccccc3OC

Chemical ID:

6628336

Name [?]:

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

SMILES [?]:

CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)COc3ccccc3OC

InChi [?]:

InChI=1/C25H24N2O6/c1-3-31-23-15-18(13-14-22(23)33-25(29)19-9-5-4-6-10-19)16-26-27-24(28)17-32-21-12-8-7-11-20(21)30-2/h4-16H,3,17H2,1-2H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,33,2,16,15,17,29,28,14,18,30,27,7,8,5,19,24,6,13,31,26,9,4,22,11,20,21,23,12,32,3,25,10/E:(5,6)(9,10)/rA:33nCCOCCCCCCOCOCCCCCCCNNCOCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s6;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₄N₂O₆
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	8.28335
Area:	718.842
Solvation:	-9.68771
Coulombic:	-60.6219

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	12
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	448.468
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	4.89
LogP (Chemaxon):	4.08

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