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Chemical ID: 7197928

Cc1ccc(c(c1)C)NC(=O)C(=O)NN=Cc2ccccc2OCc3ccc(cc3)Br

Chemical ID:

7197928

Name [?]:

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

SMILES [?]:

Cc1ccc(c(c1)C)NC(=O)C(=O)NN=Cc2ccccc2OCc3ccc(cc3)Br

InChi [?]:

InChI=1/C24H22BrN3O3/c1-16-7-12-21(17(2)13-16)27-23(29)24(30)28-26-14-19-5-3-4-6-22(19)31-15-18-8-10-20(25)11-9-18/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,8,19,20,18,21,3,26,30,27,29,4,7,16,24,2,6,25,17,28,5,22,10,12,31,15,9,14,11,13,23/E:(8,9)(10,11)/rA:31nCCCCCCCCNCOCONNCCCCCCCOCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₂BrN₃O₃
All Atoms:	53
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2688
Area:	688.048
Solvation:	-3.93235
Coulombic:	-54.3156

Bond Count [?]

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

Chemical Properties

Molecular Weight:	480.354
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	6.11
LogP (Chemaxon):	5.58

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