ChemDB: Chemical Search
Download
Chemical ID: 6989069
Chemical ID:
6989069
Name [?]:
2-(2,4-dimethylphenoxy)-N-[(2-methoxy-1-naphthyl)methyleneamino]acetamide
SMILES [?]:
Cc1ccc(c(c1)C)OCC(=O)NN=Cc2c3ccccc3ccc2OC
InChi [?]:
InChI=1/C22H22N2O3/c1-15-8-10-20(16(2)12-15)27-14-22(25)24-23-13-19-18-7-5-4-6-17(18)9-11-21(19)26-3/h4-13H,14H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,27,20,19,21,18,3,23,4,24,7,15,10,2,6,22,17,16,5,25,11,14,13,12,26,9/rA:27nCCCCCCCCOCCONNCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;w14;s15;s16;s17;d18;s19;d20;d17s21;s22;d23;d16s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22N2O3 |
All Atoms: | 49 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.06519 |
Area: | 597.467 |
Solvation: | -7.8715 |
Coulombic: | -32.1613 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 362.422 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.52 |
LogP (Chemaxon): | 4.7 |
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 |
---|