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Chemical ID: 6553298

COc1ccc(cc1)OCC(=O)Nc2ccc(cc2NC(=O)COc3ccc(cc3)OC)Cl

Chemical ID:

6553298

Name [?]:

N-[4-chloro-2-[2-(4-methoxyphenoxy)acetyl]amino-phenyl]-2-(4-methoxyphenoxy)-acetamide

SMILES [?]:

COc1ccc(cc1)OCC(=O)Nc2ccc(cc2NC(=O)COc3ccc(cc3)OC)Cl

InChi [?]:

InChI=1/C24H23ClN2O6/c1-30-17-4-8-19(9-5-17)32-14-23(28)26-21-12-3-16(25)13-22(21)27-24(29)15-33-20-10-6-18(31-2)7-11-20/h3-13H,14-15H2,1-2H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,32,16,4,8,27,29,5,7,26,30,15,18,10,23,17,3,28,6,25,14,19,11,21,33,13,20,12,22,2,31,9,24/E:(4,5)(6,7)(8,9)(10,11)/rA:33nCOCCCCCCOCCONCCCCCCNCOCOCCCCCCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s28;s31;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃ClN₂O₆
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	8.49166
Area:	733.816
Solvation:	-9.85375
Coulombic:	-69.1182

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	470.902
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.78
LogP (Chemaxon):	3.72

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