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Chemical ID: 7708473

COc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)c3ccccc3Cl

Chemical ID:

7708473

Name [?]:

None

SMILES [?]:

COc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)c3ccccc3Cl

InChi [?]:

InChI=1/C22H18Cl2N2O3/c1-28-21-12-16(13-25-26-22(27)18-4-2-3-5-19(18)24)8-11-20(21)29-14-15-6-9-17(23)10-7-15/h2-13H,14H2,1H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,25,26,24,27,12,16,6,13,15,7,4,18,10,11,5,14,23,28,8,3,21,17,29,19,20,22,2,9/E:(6,7)(9,10)/rA:29nCOCCCCCCOCCCCCCCClCNNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s5;w18;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈Cl₂N₂O₃
All Atoms:	47
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	9.84075
Area:	678.86
Solvation:	-7.13075
Coulombic:	-35.6743

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.51
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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