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Chemical ID: 6851614

COc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(c(c3)Cl)OC)OC

Chemical ID:

6851614

Name [?]:

N-(3-chloro-4-methoxy-phenyl)-4-[(2,5-dimethoxyphenyl)carbamoylmethoxy]benzamide

SMILES [?]:

COc1ccc(c(c1)NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(c(c3)Cl)OC)OC

InChi [?]:

InChI=1/C24H23ClN2O6/c1-30-18-9-11-22(32-3)20(13-18)27-23(28)14-33-17-7-4-15(5-8-17)24(29)26-16-6-10-21(31-2)19(25)12-16/h4-13H,14H2,1-3H3,(H,26,29)(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,31,33,16,18,24,15,19,4,25,5,28,8,12,17,23,14,3,27,7,26,6,10,20,29,22,9,11,21,2,30,32,13/E:(4,5)(7,8)/rA:33nCOCCCCCCNCOCOCCCCCCCONCCCCCCClOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s26;s30;s6;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃ClN₂O₆
All Atoms:	56
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	8.87728
Area:	718.836
Solvation:	-9.09362
Coulombic:	-70.3573

Bond Count [?]

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

Chemical Properties

Molecular Weight:	470.902
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	4.01
LogP (Chemaxon):	3.69

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