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Chemical ID: 6964873

c1ccc(cc1)COc2cccc(c2)C=NNC(=O)COc3ccc4ccccc4c3Br

Chemical ID:

6964873

Name [?]:

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

SMILES [?]:

c1ccc(cc1)COc2cccc(c2)C=NNC(=O)COc3ccc4ccccc4c3Br

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,2,6,27,28,11,3,5,12,26,10,29,24,23,14,15,7,20,4,13,25,9,30,22,18,31,32,16,17,19,8,21/E:(2,3)(7,8)/rA:32nCCCCCCCOCCCCCCCNNCOCOCCCCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;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:	53
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3726
Area:	707.815
Solvation:	-7.3228
Coulombic:	-36.0028

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

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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

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

Chemical Mix	Source	External ID	Descriptor	Value