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Chemical ID: 5796997

CCOc1cc(ccc1OC(=O)c2ccccc2Cl)C=NNC(=O)COc3ccc(cc3)Cl

Chemical ID:

5796997

Name [?]:

[4-[[2-(4-chlorophenoxy)acetyl]aminoiminomethyl]-2-ethoxy-phenyl] 2-chlorobenzoate

SMILES [?]:

CCOc1cc(ccc1OC(=O)c2ccccc2Cl)C=NNC(=O)COc3ccc(cc3)Cl

InChi [?]:

InChI=1/C24H20Cl2N2O5/c1-2-31-22-13-16(7-12-21(22)33-24(30)19-5-3-4-6-20(19)26)14-27-28-23(29)15-32-18-10-8-17(25)9-11-18/h3-14H,2,15H2,1H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,2,15,16,14,17,7,29,31,28,32,8,5,20,25,6,30,27,13,18,9,4,23,11,33,19,21,22,24,12,3,26,10/E:(8,9)(10,11)/rA:33nCCOCCCCCCOCOCCCCCCClCNNCOCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s6;w20;s21;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀Cl₂N₂O₅
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0354
Area:	742.479
Solvation:	-7.52659
Coulombic:	-54.2275

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	487.331
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	6.49
LogP (Chemaxon):	5.37

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