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Chemical ID: 5796853

CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)COc3ccc(c(c3)C)C

Chemical ID:

5796853

Name [?]:

[4-[[2-(3,4-dimethylphenoxy)acetyl]aminoiminomethyl]-2-ethoxy-phenyl] benzoate

SMILES [?]:

CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)COc3ccc(c(c3)C)C

InChi [?]:

InChI=1/C26H26N2O5/c1-4-31-24-15-20(11-13-23(24)33-26(30)21-8-6-5-7-9-21)16-27-28-25(29)17-32-22-12-10-18(2)19(3)14-22/h5-16H,4,17H2,1-3H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,33,32,2,16,15,17,14,18,28,7,27,8,31,5,19,24,29,30,6,13,26,9,4,22,11,20,21,23,12,3,25,10/E:(6,7)(8,9)/rA:33nCCOCCCCCCOCOCCCCCCCNNCOCOCCCCCCCC/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;s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₆N₂O₅
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7739
Area:	724.945
Solvation:	-7.34976
Coulombic:	-54.2738

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	446.495
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	6.12
LogP (Chemaxon):	5.27

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