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Chemical ID: 6490358

c1ccc(cc1)COc2ccc(cc2)C=NNC(=O)COc3ccc4ccccc4c3Br

Chemical ID:

6490358

Name [?]:

N-[(4-benzyloxyphenyl)methyleneamino]-2-[(1-bromo-2-naphthyl)oxy]acetamide

SMILES [?]:

c1ccc(cc1)COc2ccc(cc2)C=NNC(=O)COc3ccc4ccccc4c3Br

InChi [?]:

InChI=1/C26H21BrN2O3/c27-26-23-9-5-4-8-21(23)12-15-24(26)32-18-25(30)29-28-16-19-10-13-22(14-11-19)31-17-20-6-2-1-3-7-20/h1-16H,17-18H2,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,2,6,27,28,3,5,26,29,11,13,24,10,14,23,15,7,20,12,4,25,9,30,22,18,31,32,16,17,19,8,21/E:(2,3)(6,7)(10,11)(13,14)/rA:32nCCCCCCCOCCCCCCCNNCOCOCCCCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;s17;d18;s18;s20;s21;s22;d23;s24;s25;d26;s27;d28;d25s29;d22s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₁BrN₂O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	9.9835
Area:	695.171
Solvation:	-7.39579
Coulombic:	-35.8265

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	489.361
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	7.36
LogP (Chemaxon):	6.33

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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