ChemDB: Chemical Search
Download
Chemical ID: 6263096
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.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|