Chemical ID: 6216849

Cc1ccccc1C(=O)Nc2nc(cs2)c3ccc(c(c3)OC)OC
Chemical ID:
6216849
Name [?]:
N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2nc(cs2)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C19H18N2O3S/c1-12-6-4-5-7-14(12)18(22)21-19-20-15(11-25-19)13-8-9-16(23-2)17(10-13)24-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,23,4,5,3,6,17,18,21,14,2,16,7,13,19,20,8,11,12,10,9,24,22,15/rA:25nCCCCCCCCONCNCCSCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.41652
Area:559.989
Solvation:-5.58321
Coulombic:-42.3458
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:354.424
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.83
LogP (Chemaxon):4.41

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