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Chemical ID: 7021222

COc1ccc(cc1OC)C(=O)Oc2ccc(cc2OC)C=NNC(=O)c3ccccc3

Chemical ID:

7021222

Name [?]:

[4-(benzamidoiminomethyl)-2-methoxy-phenyl] 3,4-dimethoxybenzoate

SMILES [?]:

COc1ccc(cc1OC)C(=O)Oc2ccc(cc2OC)C=NNC(=O)c3ccccc3

InChi [?]:

InChI=1/C24H22N2O6/c1-29-19-12-10-18(14-22(19)31-3)24(28)32-20-11-9-16(13-21(20)30-2)15-25-26-23(27)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,21,10,30,29,31,28,32,16,5,15,4,18,7,22,17,27,6,3,14,19,8,25,11,23,24,26,12,2,20,9,13/E:(5,6)(7,8)/rA:32nCOCCCCCCOCCOOCCCCCCOCCNNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;w22;s23;s24;d25;s25;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₂N₂O₆
All Atoms:	54
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	8.79417
Area:	698.189
Solvation:	-8.66056
Coulombic:	-61.059

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	434.441
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	4.7
LogP (Chemaxon):	3.71

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value