ChemDB: Chemical Search
Download
Chemical ID: 6964843
Chemical ID:
6964843
Name [?]:
N-[(3-benzyloxyphenyl)methyleneamino]-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)NN=Cc2cccc(c2)OCc3ccccc3
InChi [?]:
InChI=1/C23H22N2O3/c1-18-7-5-11-21(13-18)28-17-23(26)25-24-15-20-10-6-12-22(14-20)27-16-19-8-3-2-4-9-19/h2-15H,16-17H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,4,17,3,24,28,16,5,18,7,20,14,22,9,2,23,15,6,19,10,13,12,11,21,8/E:(3,4)(8,9)/rA:28nCCCCCCCOCCONNCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O3 |
All Atoms: | 50 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.1711 |
Area: | 647.77 |
Solvation: | -7.02314 |
Coulombic: | -35.2374 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.74 |
LogP (Chemaxon): | 5.01 |
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 |
---|