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Chemical ID: 6644032

Chemical ID:

6644032

Name [?]:

N-[(2-benzyloxyphenyl)methyleneamino]-4-methoxy-benzamide

SMILES [?]:

COc1ccc(cc1)C(=O)NN=Cc2ccccc2OCc3ccccc3

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,25,24,26,16,17,23,27,15,18,5,7,4,8,13,21,22,6,14,3,19,9,12,11,10,2,20/E:(3,4)(7,8)(11,12)(13,14)/rA:27nCOCCCCCCCONNCCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.36607
Area:	594.673
Solvation:	-5.50076
Coulombic:	-36.8188

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