ChemDB: Chemical Search
Download
Chemical ID: 6146191
Chemical ID:
6146191
Name [?]:
N-(5-benzylthiazol-2-yl)-3,4-dimethoxy-benzamide
SMILES [?]:
COc1ccc(cc1OC)C(=O)Nc2ncc(s2)Cc3ccccc3
InChi [?]:
InChI=1/C19H18N2O3S/c1-23-16-9-8-14(11-17(16)24-2)18(22)21-19-20-12-15(25-19)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,23,22,24,21,25,5,4,19,7,16,20,6,17,3,8,11,14,15,13,12,2,9,18/E:(4,5)(6,7)/rA:25nCOCCCCCCOCCONCNCCSCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.15889 |
Area: | 576.297 |
Solvation: | -6.24853 |
Coulombic: | -41.0669 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 354.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.51 |
LogP (Chemaxon): | 3.54 |
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 |
---|