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Chemical ID: 6647136

Cc1ccccc1C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc(cc3Cl)Cl

Chemical ID:

6647136

Name [?]:

[4-[2-(2,4-dichlorophenoxy)propanoylaminoiminomethyl]phenyl] 2-methylbenzoate

SMILES [?]:

Cc1ccccc1C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc(cc3Cl)Cl

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,23,4,5,3,6,13,15,27,12,16,26,29,17,2,22,14,28,11,7,30,25,20,8,32,31,18,19,21,9,24,10/E:(7,8)(10,11)/rA:32cCCCCCCCCOOCCCCCCCNNCOCCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s20;s22;s22;s24;s25;d26;s27;d28;d25s29;s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀Cl₂N₂O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	11.5842
Area:	709.362
Solvation:	-6.14982
Coulombic:	-47.7648

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:	7.38
LogP (Chemaxon):	6.29

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