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Chemical ID: 7706166

Cc1ccc(cc1C)OCC(=O)NN=Cc2cc(ccc2OC(=O)c3ccccc3)Br

Chemical ID:

7706166

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1C)OCC(=O)NN=Cc2cc(ccc2OC(=O)c3ccccc3)Br

InChi [?]:

InChI=1/C24H21BrN2O4/c1-16-8-10-21(12-17(16)2)30-15-23(28)27-26-14-19-13-20(25)9-11-22(19)31-24(29)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,8,28,27,29,26,30,3,19,4,20,6,17,15,10,2,7,25,16,18,5,21,11,23,31,14,13,12,24,9,22/E:(4,5)(6,7)/rA:31nCCCCCCCCOCCONNCCCCCCCOCOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁BrN₂O₄
All Atoms:	52
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	10.0223
Area:	655.92
Solvation:	-6.37572
Coulombic:	-46.0686

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.85
LogP (Chemaxon):	None

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