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Chemical ID: 6647090

Cc1cccc(c1)OCC(=O)NN=Cc2ccc(cc2)OC(=O)c3ccc(cc3)OC

Chemical ID:

6647090

Name [?]:

[4-[[2-(3-methylphenoxy)acetyl]aminoiminomethyl]phenyl] 4-methoxybenzoate

SMILES [?]:

Cc1cccc(c1)OCC(=O)NN=Cc2ccc(cc2)OC(=O)c3ccc(cc3)OC

InChi [?]:

InChI=1/C24H22N2O5/c1-17-4-3-5-22(14-17)30-16-23(27)26-25-15-18-6-10-21(11-7-18)31-24(28)19-8-12-20(29-2)13-9-19/h3-15H,16H2,1-2H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,31,4,3,5,16,20,25,29,17,19,26,28,7,14,9,2,15,24,27,18,6,10,22,13,12,11,23,30,8,21/E:(6,7)(8,9)(10,11)(12,13)/rA:31nCCCCCCCOCCONNCCCCCCCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₂N₂O₅
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	9.566
Area:	684.968
Solvation:	-7.55819
Coulombic:	-53.1426

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	418.442
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.53
LogP (Chemaxon):	4.46

Name Annotations

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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