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Chemical ID: 7704859

CC(C(=O)NN=Cc1ccc(c(c1)OC)OCc2ccc(cc2)Cl)Oc3ccc(cc3Cl)Cl

Chemical ID:

7704859

Name [?]:

None

SMILES [?]:

CC(C(=O)NN=Cc1ccc(c(c1)OC)OCc2ccc(cc2)Cl)Oc3ccc(cc3Cl)Cl

InChi [?]:

InChI=1/C24H21Cl3N2O4/c1-15(33-21-10-8-19(26)12-20(21)27)24(30)29-28-13-17-5-9-22(23(11-17)31-2)32-14-16-3-6-18(25)7-4-16/h3-13,15H,14H2,1-2H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,15,19,23,9,20,22,28,10,27,13,30,7,17,2,18,8,21,29,31,26,11,12,3,24,33,32,6,5,4,14,16,25/E:(3,4)(6,7)/rA:33cCCCONNCCCCCCCOCOCCCCCCCClOCCCCCCClCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s17;s18;d19;s20;d21;d18s22;s21;s2;s25;s26;d27;s28;d29;d26s30;s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁Cl₃N₂O₄
All Atoms:	54
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	9.75718
Area:	765.043
Solvation:	-9.3689
Coulombic:	-41.7093

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	7.34
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