Chemical ID: 4468797

Cc1ccc2c(c1)c(c(o2)C(=O)NCc3ccc4c(c3)OCO4)C
Chemical ID:
4468797
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-3,5-dimethyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1ccc2c(c1)c(c(o2)C(=O)NCc3ccc4c(c3)OCO4)C
InChi [?]:
InChI=1/C19H17NO4/c1-11-3-5-15-14(7-11)12(2)18(24-15)19(21)20-9-13-4-6-16-17(8-13)23-10-22-16/h3-8H,9-10H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,3,16,4,17,7,20,14,22,2,8,15,6,5,18,19,9,11,13,12,23,21,10/rA:24nCCCCCCCCCOCONCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18s22;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.88002
Area:531.473
Solvation:-3.40681
Coulombic:-48.6971
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:323.343
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.53
LogP (Chemaxon):3.68

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue