ChemDB: Chemical Search
Download
Chemical ID: 7047497
Chemical ID:
7047497
Name [?]:
N-(3,5-dichloro-2-pyridyl)-7-ethoxy-2-oxo-chromene-3-carboxamide
SMILES [?]:
CCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3c(cc(cn3)Cl)Cl
InChi [?]:
InChI=1/C17H12Cl2N2O4/c1-2-24-11-4-3-9-5-12(17(23)25-14(9)7-11)16(22)21-15-13(19)6-10(18)8-20-15/h3-8H,2H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,5,8,20,14,22,7,21,4,9,19,13,18,15,10,24,25,23,17,16,11,3,12/rA:25nCCOCCCCCCCOOCCCONCCCCCNClCl/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s10;d7s12;d4s13;s9;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12Cl2N2O4 |
All Atoms: | 37 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.43536 |
Area: | 569.892 |
Solvation: | -5.81194 |
Coulombic: | -49.878 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 379.194 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.72 |
LogP (Chemaxon): | 3.03 |
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 |
---|