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Chemical ID: 7708251

CC(C(=O)NN=Cc1cccc(c1)OC(=O)c2ccc(cc2)Cl)Oc3ccc(cc3)Br

Chemical ID:

7708251

Name [?]:

None

SMILES [?]:

CC(C(=O)NN=Cc1cccc(c1)OC(=O)c2ccc(cc2)Cl)Oc3ccc(cc3)Br

InChi [?]:

InChI=1/C23H18BrClN2O4/c1-15(30-20-11-7-18(24)8-12-20)22(28)27-26-14-16-3-2-4-21(13-16)31-23(29)17-5-9-19(25)10-6-17/h2-15H,1H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,10,9,11,18,22,27,29,19,21,26,30,13,7,2,8,17,28,20,25,12,3,15,31,23,6,5,4,16,24,14/E:(5,6)(7,8)(9,10)(11,12)/rA:31cCCCONNCCCCCCCOCOCCCCCCClOCCCCCCBr/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s2;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₈BrClN₂O₄
All Atoms:	49
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	12.0447
Area:	710.482
Solvation:	-5.71741
Coulombic:	-48.0984

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:	7.12
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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