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Chemical ID: 6930285

COc1cc(ccc1OCc2c(cccc2Cl)Cl)C=NNC(=O)COc3ccc(cc3)Cl

Chemical ID:

6930285

Name [?]:

2-(4-chlorophenoxy)-N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxy-phenyl]methyleneamino]acetamide

SMILES [?]:

COc1cc(ccc1OCc2c(cccc2Cl)Cl)C=NNC(=O)COc3ccc(cc3)Cl

InChi [?]:

InChI=1/C23H19Cl3N2O4/c1-30-22-11-15(5-10-21(22)32-13-18-19(25)3-2-4-20(18)26)12-27-28-23(29)14-31-17-8-6-16(24)7-9-17/h2-12H,13-14H2,1H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,14,13,15,6,28,30,27,31,7,4,19,10,24,5,29,26,11,12,16,8,3,22,32,18,17,20,21,23,2,25,9/E:(3,4)(6,7)(8,9)(19,20)(25,26)/rA:32nCOCCCCCCOCCCCCCCClClCNNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s12;s5;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₉Cl₃N₂O₄
All Atoms:	51
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	9.55067
Area:	753.054
Solvation:	-9.27567
Coulombic:	-41.36

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	493.766
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.81
LogP (Chemaxon):	5.84

Name Annotations

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

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