Chemical ID: 6847239

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)c4cccs4)C
Chemical ID:
6847239
Name [?]:
2-(2-furyl)-6,8-dimethyl-3-[2-oxo-2-(2-thienyl)ethoxy]-chromen-4-one
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)c4cccs4)C
InChi [?]:
InChI=1/C21H16O5S/c1-12-9-13(2)19-14(10-12)18(23)21(20(26-19)16-5-3-7-24-16)25-11-15(22)17-6-4-8-27-17/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,15,24,14,23,16,25,3,7,19,2,4,6,20,13,22,8,5,11,10,21,9,17,18,12,26/rA:27nCCCCCCCCOCCOCCCCOOCCOCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;s19;d20;s20;d22;s23;d24;s22s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16O5S
All Atoms:43
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.00193
Area:575.276
Solvation:-5.37998
Coulombic:-41.1401
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:380.415
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.58
LogP (Chemaxon):3.73

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