ChemDB: Chemical Search
Download
Chemical ID: 7047705
Chemical ID:
7047705
Name [?]:
N-(5-iodo-2-pyridyl)-2-oxo-7-propoxy-chromene-3-carboxamide
SMILES [?]:
CCCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3ccc(cn3)I
InChi [?]:
InChI=1/C18H15IN2O4/c1-2-7-24-13-5-3-11-8-14(18(23)25-15(11)9-13)17(22)21-16-6-4-12(19)10-20-16/h3-6,8-10H,2,7H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,7,21,6,20,3,9,15,23,8,22,5,10,14,19,16,11,25,24,18,17,12,4,13/rA:25nCCCOCCCCCCCOOCCCONCCCCCNI/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s11;d8s13;d5s14;s10;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15IN2O4 |
All Atoms: | 40 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.28009 |
Area: | 581.123 |
Solvation: | -6.24798 |
Coulombic: | -49.004 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 450.227 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.9 |
LogP (Chemaxon): | 4.1 |
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 |
---|