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Chemical ID: 6433097

Chemical ID:

6433097

Name [?]:

2-(2-allylphenoxy)-N-[(3,4-dimethoxyphenyl)methyleneamino]acetamide

SMILES [?]:

COc1ccc(cc1OC)C=NNC(=O)COc2ccccc2CC=C

InChi [?]:

InChI=1/C20H22N2O4/c1-4-7-16-8-5-6-9-17(16)26-14-20(23)22-21-13-15-10-11-18(24-2)19(12-15)25-3/h4-6,8-13H,1,7,14H2,2-3H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:26,1,10,25,21,20,24,22,19,5,4,7,11,16,6,23,18,3,8,14,12,13,15,2,9,17/rA:26nCOCCCCCCOCCNNCOCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₂N₂O₄
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	6.15324
Area:	603.398
Solvation:	-8.93172
Coulombic:	-40.9138

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	354.4
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.32
LogP (Chemaxon):	3.56

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