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Chemical ID: 6147266

COc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3c(cc(cc3Cl)Cl)Cl

Chemical ID:

6147266

Name [?]:

4-[(4-methoxyphenyl)carbamoylmethoxy]-N-(2,4,6-trichlorophenyl)-benzamide

SMILES [?]:

COc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3c(cc(cc3Cl)Cl)Cl

InChi [?]:

InChI=1/C22H17Cl3N2O4/c1-30-16-8-4-15(5-9-16)26-20(28)12-31-17-6-2-13(3-7-17)22(29)27-21-18(24)10-14(23)11-19(21)25/h2-11H,12H2,1H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,16,18,5,7,15,19,4,8,25,27,12,17,26,6,3,14,24,28,10,23,20,30,31,29,9,22,11,21,2,13/E:(2,3)(4,5)(6,7)(8,9)(10,11)(18,19)(24,25)/rA:31nCOCCCCCCNCOCOCCCCCCCONCCCCCCClClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₇Cl₃N₂O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1357
Area:	704.264
Solvation:	-6.47086
Coulombic:	-56.9192

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	479.74
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.43
LogP (Chemaxon):	3.93

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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