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Chemical ID: 6646962

Cc1c(cccc1Cl)NC(=O)C(=O)NN=Cc2cc(ccc2OCc3ccccc3)Br

Chemical ID:

6646962

Name [?]:

N'-[(2-benzyloxy-5-bromo-phenyl)methyleneamino]-N-(3-chloro-2-methyl-phenyl)-oxamide

SMILES [?]:

Cc1c(cccc1Cl)NC(=O)C(=O)NN=Cc2cc(ccc2OCc3ccccc3)Br

InChi [?]:

InChI=1/C23H19BrClN3O3/c1-15-19(25)8-5-9-20(15)27-22(29)23(30)28-26-13-17-12-18(24)10-11-21(17)31-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,27,29)(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,28,27,29,5,26,30,6,4,20,21,18,16,24,2,25,17,19,7,3,22,10,12,31,8,15,9,14,11,13,23/E:(3,4)(6,7)/rA:31nCCCCCCCClNCOCONNCCCCCCCOCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s24;s25;d26;s27;d28;d25s29;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₉BrClN₃O₃
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2248
Area:	686.347
Solvation:	-3.9339
Coulombic:	-54.3181

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	500.772
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	6.3
LogP (Chemaxon):	5.63

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