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Chemical ID: 6963076

Chemical ID:

6963076

Name [?]:

2-(4-chlorophenoxy)-N-[(2-methoxy-1-naphthyl)methyleneamino]acetamide

SMILES [?]:

COc1ccc2ccccc2c1C=NNC(=O)COc3ccc(cc3)Cl

InChi [?]:

InChI=1/C20H17ClN2O3/c1-25-19-11-6-14-4-2-3-5-17(14)18(19)12-22-23-20(24)13-26-16-9-7-15(21)8-10-16/h2-12H,13H2,1H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,8,9,7,10,5,22,24,21,25,4,13,18,6,23,20,11,12,3,16,26,14,15,17,2,19/E:(7,8)(9,10)/rA:26nCOCCCCCCCCCCCNNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s12;w13;s14;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₇ClN₂O₃
All Atoms:	43
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	6.88014
Area:	593.436
Solvation:	-7.95577
Coulombic:	-32.3034

Bond Count [?]

All:	28
Single:	18
Double:	10
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	368.813
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.48
LogP (Chemaxon):	4.28

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