ChemDB: Chemical Search
Download
Chemical ID: 4301149
Chemical ID:
4301149
Name [?]:
N-[5-[(4-methoxyphenyl)methyl]thiazol-2-yl]benzamide
SMILES [?]:
COc1ccc(cc1)Cc2cnc(s2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C18H16N2O2S/c1-22-15-9-7-13(8-10-15)11-16-12-19-18(23-16)20-17(21)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,23,5,7,4,8,9,11,6,18,3,10,16,13,12,15,17,2,14/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCOCCCCCCCCCNCSNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.26798 |
Area: | 541.107 |
Solvation: | -4.25969 |
Coulombic: | -35.3042 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.398 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.86 |
LogP (Chemaxon): | 3.79 |
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 |
---|