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Chemical ID: 7706473

CC(C(=O)NN=Cc1ccccc1OC(=O)c2ccc(cc2)Cl)Oc3ccc(cc3)Br

Chemical ID:

7706473

Name [?]:

None

SMILES [?]:

CC(C(=O)NN=Cc1ccccc1OC(=O)c2ccc(cc2)Cl)Oc3ccc(cc3)Br

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,10,11,9,12,18,22,27,29,19,21,26,30,7,2,17,8,28,20,25,13,3,15,31,23,6,5,4,16,24,14/E:(6,7)(8,9)(10,11)(12,13)/rA:31cCCCONNCCCCCCCOCOCCCCCCClOCCCCCCBr/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s13;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:	11.8929
Area:	694.732
Solvation:	-5.47539
Coulombic:	-48.5683

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

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

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