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Chemical ID: 6882880

CCc1cccc(c1NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)C)CC

Chemical ID:

6882880

Name [?]:

4-[(3-chloro-4-methyl-phenyl)carbamoylmethoxy]-N-(2,6-diethylphenyl)-benzamide

SMILES [?]:

CCc1cccc(c1NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)C)CC

InChi [?]:

InChI=1/C26H27ClN2O3/c1-4-18-7-6-8-19(5-2)25(18)29-26(31)20-10-13-22(14-11-20)32-16-24(30)28-21-12-9-17(3)23(27)15-21/h6-15H,4-5,16H2,1-3H3,(H,28,30)(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,32,30,2,31,5,4,6,25,13,17,24,14,16,28,19,26,3,7,12,23,15,27,20,8,10,29,22,9,21,11,18/E:(1,2)(4,5)(7,8)(10,11)(13,14)(18,19)/rA:32nCCCCCCCCNCOCCCCCCOCCONCCCCCCClCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s26;s7;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₇ClN₂O₃
All Atoms:	59
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.5686
Area:	711.549
Solvation:	-5.22009
Coulombic:	-51.0683

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	450.957
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.87
LogP (Chemaxon):	5.34

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