Chemical ID: 6263096

CCOc1cc(cc(c1OCC)OCC)C(=O)Nc2nc(c(s2)C)c3ccccc3
Chemical ID:
6263096
Name [?]:
3,4,5-triethoxy-N-(5-methyl-4-phenyl-thiazol-2-yl)-benzamide
SMILES [?]:
CCOc1cc(cc(c1OCC)OCC)C(=O)Nc2nc(c(s2)C)c3ccccc3
InChi [?]:
InChI=1/C23H26N2O4S/c1-5-27-18-13-17(14-19(28-6-2)21(18)29-7-3)22(26)25-23-24-20(15(4)30-23)16-11-9-8-10-12-16/h8-14H,5-7H2,1-4H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,15,12,24,2,14,11,28,27,29,26,30,5,7,22,25,6,4,8,21,9,16,19,20,18,17,3,13,10,23/E:(1,2)(5,6)(9,10)(11,12)(13,14)(18,19)(27,28)/rA:30nCCOCCCCCCOCCOCCCONCNCCSCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s8;s13;s14;s6;d16;s16;s18;d19;s20;d21;s19s22;s22;s21;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.6019
Area:682.106
Solvation:-6.45075
Coulombic:-49.9303
Bond Count [?]
All:32
Single:23
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:426.53
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.29
LogP (Chemaxon):4.71

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