Chemical ID: 6266922

Cc1c(nc(s1)NC(=O)c2ccc(cc2OC)OC)c3ccc(cc3)OC
Chemical ID:
6266922
Name [?]:
2,4-dimethoxy-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-benzamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)c2ccc(cc2OC)OC)c3ccc(cc3)OC
InChi [?]:
InChI=1/C20H20N2O4S/c1-12-18(13-5-7-14(24-2)8-6-13)21-20(27-12)22-19(23)16-10-9-15(25-3)11-17(16)26-4/h5-11H,1-4H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,27,19,17,21,25,22,24,12,11,14,2,20,23,13,10,15,3,8,5,4,7,9,26,18,16,6/E:(5,6)(7,8)/rA:27nCCCNCSNCOCCCCCCOCOCCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s13;s18;s3;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.1869
Area:601.277
Solvation:-6.84503
Coulombic:-47.6152
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:384.45
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.42
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