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Chemical ID: 4161440

Cc1ccc(cc1C)OCC(=O)Oc2ccc(cc2)C(=O)Nc3cc(ccc3Cl)Cl

Chemical ID:

4161440

Name [?]:

[4-[(2,5-dichlorophenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate

SMILES [?]:

Cc1ccc(cc1C)OCC(=O)Oc2ccc(cc2)C(=O)Nc3cc(ccc3Cl)Cl

InChi [?]:

InChI=1/C23H19Cl2NO4/c1-14-3-7-19(11-15(14)2)29-13-22(27)30-18-8-4-16(5-9-18)23(28)26-21-12-17(24)6-10-20(21)25/h3-12H,13H2,1-2H3,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,8,3,16,18,26,4,15,19,27,6,24,10,2,7,17,25,14,5,28,23,11,20,30,29,22,12,21,9,13/E:(4,5)(8,9)/rA:30nCCCCCCCCOCCOOCCCCCCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₉Cl₂NO₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8456
Area:	687.893
Solvation:	-4.35178
Coulombic:	-49.9886

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	444.307
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.03
LogP (Chemaxon):	5.43

Name Annotations

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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