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Chemical ID: 4270616

Chemical ID:

4270616

Name [?]:

2-[(1-bromo-2-naphthyl)oxy]-N-[(3-methoxyphenyl)methyleneamino]acetamide

SMILES [?]:

COc1cccc(c1)C=NNC(=O)COc2ccc3ccccc3c2Br

InChi [?]:

InChI=1/C20H17BrN2O3/c1-25-16-7-4-5-14(11-16)12-22-23-19(24)13-26-18-10-9-15-6-2-3-8-17(15)20(18)21/h2-12H,13H2,1H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,21,22,5,6,20,4,23,18,17,8,9,14,7,19,3,24,16,12,25,26,10,11,13,2,15/rA:26nCOCCCCCCCNNCOCOCCCCCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;s14;s15;s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₇BrN₂O₃
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	7.66062
Area:	585.578
Solvation:	-6.97882
Coulombic:	-33.8393

Bond Count [?]

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

Chemical Properties

Molecular Weight:	413.265
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.65
LogP (Chemaxon):	4.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value