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Chemical ID: 4542326

c1ccc(cc1)NC(=O)C(=O)NN=Cc2c3ccccc3ccc2OCc4cccc(c4)Br

Chemical ID:

4542326

Name [?]:

N'-[[2-[(3-bromophenyl)methoxy]-1-naphthyl]methyleneamino]-N-phenyl-oxamide

SMILES [?]:

c1ccc(cc1)NC(=O)C(=O)NN=Cc2c3ccccc3ccc2OCc4cccc(c4)Br

InChi [?]:

InChI=1/C26H20BrN3O3/c27-20-9-6-7-18(15-20)17-33-24-14-13-19-8-4-5-12-22(19)23(24)16-28-30-26(32)25(31)29-21-10-2-1-3-11-21/h1-16H,17H2,(H,29,31)(H,30,32)

InChi Info:

AuxInfo=1/1/N:1,2,6,19,18,29,28,20,30,3,5,17,22,23,32,14,26,27,21,31,4,16,15,24,8,10,33,13,7,12,9,11,25/E:(2,3)(10,11)/rA:33nCCCCCCNCOCONNCCCCCCCCCCCOCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;d10;s10;s12;w13;s14;s15;s16;d17;s18;d19;d16s20;s21;d22;d15s23;s24;s25;s26;s27;d28;s29;d30;d27s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₀BrN₃O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2631
Area:	667.036
Solvation:	-4.41276
Coulombic:	-54.6979

Bond Count [?]

All:	36
Single:	22
Double:	14
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	502.359
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	6.71
LogP (Chemaxon):	6.3

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