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Chemical ID: 7479277

COc1cccc(c1)C=NNC(=O)c2ccc(cc2)OCc3ccccc3

Chemical ID:

7479277

Name [?]:

4-benzyloxy-N-[(3-methoxyphenyl)methyleneamino]benzamide

SMILES [?]:

COc1cccc(c1)C=NNC(=O)c2ccc(cc2)OCc3ccccc3

InChi [?]:

InChI=1/C22H20N2O3/c1-26-21-9-5-8-18(14-21)15-23-24-22(25)19-10-12-20(13-11-19)27-16-17-6-3-2-4-7-17/h2-15H,16H2,1H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,25,24,26,5,23,27,6,4,15,19,16,18,8,9,21,22,7,14,17,3,12,10,11,13,2,20/E:(3,4)(6,7)(10,11)(12,13)/rA:27nCOCCCCCCCNNCOCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₀N₂O₃
All Atoms:	47
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	9.60706
Area:	621.707
Solvation:	-5.93561
Coulombic:	-36.2191

Bond Count [?]

All:	29
Single:	18
Double:	11
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	360.406
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.53
LogP (Chemaxon):	4.51

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