ChemDB: Chemical Search
Download
Chemical ID: 6352286
Chemical ID:
6352286
Name [?]:
5-chloro-N-(4,5-dimethylthiazol-2-yl)-2-methoxy-benzamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)c2cc(ccc2OC)Cl)C
InChi [?]:
InChI=1/C13H13ClN2O2S/c1-7-8(2)19-13(15-7)16-12(17)10-6-9(14)4-5-11(10)18-3/h4-6H,1-3H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,19,17,13,14,11,2,3,12,10,15,8,5,18,6,7,9,16,4/rA:19nCCCSCNNCOCCCCCCOCClC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s12;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13ClN2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.3587 |
Area: | 480.179 |
Solvation: | -4.64577 |
Coulombic: | -31.8677 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.773 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.5 |
LogP (Chemaxon): | 2.79 |
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 |
---|