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Chemical ID: 6646835

COc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc(cc3)OC

Chemical ID:

6646835

Name [?]:

[4-[[2-(4-methoxyphenoxy)acetyl]aminoiminomethyl]phenyl] 4-methoxybenzoate

SMILES [?]:

COc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc(cc3)OC

InChi [?]:

InChI=1/C24H22N2O6/c1-29-19-9-5-18(6-10-19)24(28)32-22-7-3-17(4-8-22)15-25-26-23(27)16-31-21-13-11-20(30-2)12-14-21/h3-15H,16H2,1-2H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,32,14,16,5,7,13,17,4,8,27,29,26,30,18,23,15,6,3,28,25,12,21,9,19,20,22,10,2,31,24,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:32nCOCCCCCCCOOCCCCCCCNNCOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;w18;s19;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₂N₂O₆
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	8.66759
Area:	702.642
Solvation:	-8.89847
Coulombic:	-59.3399

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	11
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	434.441
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	5.01
LogP (Chemaxon):	3.74

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