ChemDB: Chemical Search
Download
Chemical ID: 7479234
Chemical ID:
7479234
Name [?]:
4-benzyloxy-N-[(2-hydroxy-3-methoxy-phenyl)methyleneamino]benzamide
SMILES [?]:
COc1cccc(c1O)C=NNC(=O)c2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C22H20N2O4/c1-27-20-9-5-8-18(21(20)25)14-23-24-22(26)17-10-12-19(13-11-17)28-15-16-6-3-2-4-7-16/h2-14,25H,15H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,5,24,28,6,4,16,20,17,19,10,22,23,15,7,18,3,8,13,11,12,9,14,2,21/E:(3,4)(6,7)(10,11)(12,13)/rA:28nCOCCCCCCOCNNCOCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2O4 |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.59377 |
Area: | 621.836 |
Solvation: | -7.95213 |
Coulombic: | -50.6008 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 376.405 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.13 |
LogP (Chemaxon): | 4.23 |
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 |
---|