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Chemical ID: 7707072

CC(C(=O)NN=Cc1c2ccccc2ccc1OC(=O)c3ccc(cc3)Cl)Oc4ccc(cc4)Cl

Chemical ID:

7707072

Name [?]:

None

SMILES [?]:

CC(C(=O)NN=Cc1c2ccccc2ccc1OC(=O)c3ccc(cc3)Cl)Oc4ccc(cc4)Cl

InChi [?]:

InChI=1/C27H20Cl2N2O4/c1-17(34-22-13-11-21(29)12-14-22)26(32)31-30-16-24-23-5-3-2-4-18(23)8-15-25(24)35-27(33)19-6-9-20(28)10-7-19/h2-17H,1H3,(H,31,32)

InChi Info:

AuxInfo=1/1/N:1,12,11,13,10,22,26,15,23,25,31,33,30,34,16,7,2,14,21,24,32,29,9,8,17,3,19,27,35,6,5,4,20,28,18/E:(6,7)(9,10)(11,12)(13,14)/rA:35cCCCONNCCCCCCCCCCCOCOCCCCCCClOCCCCCCCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;d8s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;s2;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₀Cl₂N₂O₄
All Atoms:	55
Heavy Atoms:	35
Chiral Atoms:	None

ZAP Information [?]

Total:	12.6005
Area:	730.89
Solvation:	-5.67172
Coulombic:	-49.2248

Bond Count [?]

All:	38
Single:	24
Double:	14
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	8.21
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