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Chemical ID: 4542327

c1ccc(cc1)NC(=O)C(=O)NN=Cc2ccccc2OCc3ccc(cc3)Br

Chemical ID:

4542327

Name [?]:

N'-[[2-[(4-bromophenyl)methoxy]phenyl]methyleneamino]-N-phenyl-oxamide

SMILES [?]:

c1ccc(cc1)NC(=O)C(=O)NN=Cc2ccccc2OCc3ccc(cc3)Br

InChi [?]:

InChI=1/C22H18BrN3O3/c23-18-12-10-16(11-13-18)15-29-20-9-5-4-6-17(20)14-24-26-22(28)21(27)25-19-7-2-1-3-8-19/h1-14H,15H2,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,2,6,17,18,16,3,5,19,24,28,25,27,14,22,23,15,26,4,20,8,10,29,13,7,12,9,11,21/E:(2,3)(7,8)(10,11)(12,13)/rA:29nCCCCCCNCOCONNCCCCCCCOCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈BrN₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.1987
Area:	646.348
Solvation:	-3.96
Coulombic:	-54.6119

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	452.301
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.45
LogP (Chemaxon):	5.3

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

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

Chemical Mix	Source	External ID	Descriptor	Value