ChemDB: Chemical Search
Download
Chemical ID: 6351389
Chemical ID:
6351389
Name [?]:
N-[1-(4-ethoxyphenyl)ethylideneamino]-3,4-dimethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1)C(=NNC(=O)c2ccc(c(c2)OC)OC)C
InChi [?]:
InChI=1/C19H22N2O4/c1-5-25-16-9-6-14(7-10-16)13(2)20-21-19(22)15-8-11-17(23-3)18(12-15)24-4/h6-12H,5H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,24,22,2,6,8,16,5,9,17,20,10,7,15,4,18,19,13,11,12,14,23,21,3/E:(6,7)(9,10)/rA:25nCCOCCCCCCCNNCOCCCCCCOCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.96498 |
Area: | 572.078 |
Solvation: | -7.33698 |
Coulombic: | -40.3952 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 342.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.04 |
LogP (Chemaxon): | 2.46 |
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 |
---|