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Chemical ID: 7706380

CC(C(=O)NN=Cc1cccc(c1)OC(=O)c2ccc(cc2Cl)Cl)Oc3cccc4c3cccc4

Chemical ID:

7706380

Name [?]:

None

SMILES [?]:

CC(C(=O)NN=Cc1cccc(c1)OC(=O)c2ccc(cc2Cl)Cl)Oc3cccc4c3cccc4

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,34,33,10,28,9,35,29,11,32,27,19,18,13,21,7,2,8,30,20,12,31,17,22,26,3,15,24,23,6,5,4,16,25,14/rA:35cCCCONNCCCCCCCOCOCCCCCCClClOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s20;s2;s25;s26;d27;s28;d29;d26s30;s31;d32;s33;s30d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	12.5692
Area:	752.415
Solvation:	-6.24118
Coulombic:	-48.4522

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