ChemDB: Chemical Search
Download
Chemical ID: 5852702
Chemical ID:
5852702
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyleneamino)-7-methoxy-benzofuran-2-carboxamide
SMILES [?]:
COc1cccc2c1oc(c2)C(=O)NN=Cc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C18H14N2O5/c1-22-14-4-2-3-12-8-16(25-17(12)14)18(21)20-19-9-11-5-6-13-15(7-11)24-10-23-13/h2-9H,10H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,18,19,22,11,16,24,17,7,20,3,21,10,8,12,15,14,13,2,25,23,9/rA:25nCOCCCCCCOCCCONNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N2O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.324 |
Area: | 532.303 |
Solvation: | -5.98357 |
Coulombic: | -52.3093 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 338.314 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.72 |
LogP (Chemaxon): | 3.02 |
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 |
---|