ChemDB: Chemical Search
Download
Chemical ID: 7047367
Chemical ID:
7047367
Name [?]:
7-ethoxy-N-(6-methyl-2-pyridyl)-2-oxo-chromene-3-carboxamide
SMILES [?]:
CCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3cccc(n3)C
InChi [?]:
InChI=1/C18H16N2O4/c1-3-23-13-8-7-12-9-14(18(22)24-15(12)10-13)17(21)20-16-6-4-5-11(2)19-16/h4-10H,3H2,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,2,20,21,19,6,5,8,14,22,7,4,9,13,18,15,10,23,17,16,11,3,12/rA:24nCCOCCCCCCCOOCCCONCCCCCNC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s10;d7s12;d4s13;s9;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O4 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.86955 |
Area: | 531.173 |
Solvation: | -6.40978 |
Coulombic: | -48.4305 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.79 |
LogP (Chemaxon): | 2.82 |
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 |
---|