Chemical ID: 6219881

COc1ccc(cc1)c2csc(n2)NC(=O)c3c(cccc3OC)OC
Chemical ID:
6219881
Name [?]:
2,6-dimethoxy-N-[4-(4-methoxyphenyl)thiazol-2-yl]-benzamide
SMILES [?]:
COc1ccc(cc1)c2csc(n2)NC(=O)c3c(cccc3OC)OC
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-13-9-7-12(8-10-13)14-11-26-19(20-14)21-18(22)17-15(24-2)5-4-6-16(17)25-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,26,20,21,19,5,7,4,8,10,6,3,9,22,18,17,15,12,13,14,16,2,23,25,11/E:(2,3)(5,6)(7,8)(9,10)(15,16)(24,25)/rA:26nCOCCCCCCCCSCNNCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s23;s18;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.97069
Area:582.962
Solvation:-6.60335
Coulombic:-48.7785
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:370.423
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.57
LogP (Chemaxon):3.69

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