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Chemical ID: 6646562

c1ccc2c(c1)cccc2C(=O)Oc3ccc(cc3)C=NNC(=O)COc4ccc(cc4Cl)Cl

Chemical ID:

6646562

Name [?]:

[4-[[2-(2,4-dichlorophenoxy)acetyl]aminoiminomethyl]phenyl] naphthalene-1-carboxylate

SMILES [?]:

c1ccc2c(c1)cccc2C(=O)Oc3ccc(cc3)C=NNC(=O)COc4ccc(cc4Cl)Cl

InChi [?]:

InChI=1/C26H18Cl2N2O4/c27-19-10-13-24(23(28)14-19)33-16-25(31)30-29-15-17-8-11-20(12-9-17)34-26(32)22-7-3-5-18-4-1-2-6-21(18)22/h1-15H,16H2,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,2,8,6,7,3,9,16,18,29,15,19,28,31,20,25,17,5,30,14,4,10,32,27,23,11,34,33,21,22,24,12,26,13/E:(8,9)(11,12)/rA:34nCCCCCCCCCCCOOCCCCCCCNNCOCOCCCCCCClCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;w20;s21;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;s32;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₁₈Cl₂N₂O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8351
Area:	742.157
Solvation:	-6.71885
Coulombic:	-47.8946

Bond Count [?]

All:	37
Single:	23
Double:	14
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	493.338
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	7.69
LogP (Chemaxon):	6.28

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

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Chemical Mix	Source	External ID	Descriptor	Value