ChemDB: Chemical Search
Download
Chemical ID: 4229665
Chemical ID:
4229665
Name [?]:
2-chloro-N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-benzamide
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(n2)NC(=O)c3ccccc3Cl)C
InChi [?]:
InChI=1/C19H17ClN2O2S/c1-3-24-14-10-8-13(9-11-14)17-12(2)25-19(21-17)22-18(23)15-6-4-5-7-16(15)20/h4-11H,3H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,2,20,21,19,22,6,8,5,9,11,7,4,18,23,10,16,13,24,14,15,17,3,12/E:(8,9)(10,11)/rA:25nCCOCCCCCCCCSCNNCOCCCCCCClC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7556 |
Area: | 577.234 |
Solvation: | -3.67523 |
Coulombic: | -36.2212 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.869 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.64 |
LogP (Chemaxon): | 5.05 |
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 |
---|