ChemDB: Chemical Search
Download
Chemical ID: 6882880
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
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 |
---|