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Chemical ID: 4521203

Cc1cccc(c1)OCC(=O)NN=Cc2cccc(c2)OC(=O)C=Cc3ccc(cc3)OC

Chemical ID:

4521203

Name [?]:

[3-[[2-(3-methylphenoxy)acetyl]aminoiminomethyl]phenyl] 3-(4-methoxyphenyl)prop-2-enoate

SMILES [?]:

Cc1cccc(c1)OCC(=O)NN=Cc2cccc(c2)OC(=O)C=Cc3ccc(cc3)OC

InChi [?]:

InChI=1/C26H24N2O5/c1-19-5-3-7-23(15-19)32-18-25(29)28-27-17-21-6-4-8-24(16-21)33-26(30)14-11-20-9-12-22(31-2)13-10-20/h3-17H,18H2,1-2H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,33,4,17,3,16,5,18,27,31,25,28,30,24,7,20,14,9,2,26,15,29,6,19,10,22,13,12,11,23,32,8,21/E:(9,10)(12,13)/rA:33nCCCCCCCOCCONNCCCCCCCOCOCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;d22;s22;w24;s25;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄N₂O₅
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	9.81271
Area:	710.342
Solvation:	-7.94584
Coulombic:	-52.843

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	11
Chiral:	2
Rigid Segments:	9

Chemical Properties

Molecular Weight:	444.479
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.8
LogP (Chemaxon):	5.05

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