ChemDB: Chemical Search
Download
Chemical ID: 6883723
Chemical ID:
6883723
Name [?]:
N-(2-methoxyphenyl)-4-(1-naphthylcarbamoylmethoxy)benzamide
SMILES [?]:
COc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc4c3cccc4
InChi [?]:
InChI=1/C26H22N2O4/c1-31-24-12-5-4-10-23(24)28-26(30)19-13-15-20(16-14-19)32-17-25(29)27-22-11-6-8-18-7-2-3-9-21(18)22/h2-16H,17H2,1H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,31,30,6,5,25,32,26,29,7,24,4,13,17,14,16,19,27,12,15,28,23,8,3,20,10,22,9,21,11,2,18/E:(13,14)(15,16)/rA:32nCOCCCCCCNCOCCCCCCOCCONCCCCCCCCCC/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;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H22N2O4 |
All Atoms: | 54 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4883 |
Area: | 670.51 |
Solvation: | -6.27448 |
Coulombic: | -59.1662 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 426.464 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.83 |
LogP (Chemaxon): | 4.68 |
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 |
---|