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Chemical ID: 6626141

Cc1ccc(cc1C)OCC(=O)NN=Cc2ccc(cc2)OC(=O)c3ccc(cc3Cl)Cl

Chemical ID:

6626141

Name [?]:

[4-[[2-(3,4-dimethylphenoxy)acetyl]aminoiminomethyl]phenyl] 2,4-dichlorobenzoate

SMILES [?]:

Cc1ccc(cc1C)OCC(=O)NN=Cc2ccc(cc2)OC(=O)c3ccc(cc3Cl)Cl

InChi [?]:

InChI=1/C24H20Cl2N2O4/c1-15-3-7-20(11-16(15)2)31-14-23(29)28-27-13-17-4-8-19(9-5-17)32-24(30)21-10-6-18(25)12-22(21)26/h3-13H,14H2,1-2H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,8,3,17,21,27,4,18,20,26,6,29,15,10,2,7,16,28,19,5,25,30,11,23,32,31,14,13,12,24,9,22/E:(4,5)(8,9)/rA:32nCCCCCCCCOCCONNCCCCCCCOCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;s25;d26;s27;d28;d25s29;s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀Cl₂N₂O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6401
Area:	724.308
Solvation:	-6.46757
Coulombic:	-46.0921

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	471.332
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	7.3
LogP (Chemaxon):	6.22

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