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Chemical ID: 5796003

Cc1ccccc1OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3cccc(c3)OC

Chemical ID:

5796003

Name [?]:

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

SMILES [?]:

Cc1ccccc1OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3cccc(c3)OC

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,33,22,4,5,28,3,27,29,6,16,17,20,31,14,9,2,15,26,30,7,18,19,10,24,13,12,11,25,32,21,8,23/rA:33nCCCCCCCOCCONNCCCCCCCOCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;d24;s24;s26;d27;s28;d29;d26s30;s30;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.0548
Area:	713.036
Solvation:	-8.7711
Coulombic:	-60.32

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	11
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	448.468
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	4.97
LogP (Chemaxon):	4.21

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