ChemDB: Chemical Search
Download
Chemical ID: 6267259
Chemical ID:
6267259
Name [?]:
2-(4-chlorophenoxy)-N-(4-ethoxy-3-ethyl-benzothiazol-2-ylidene)-acetamide
SMILES [?]:
CCn1c2c(cccc2sc1=NC(=O)COc3ccc(cc3)Cl)OCC
InChi [?]:
InChI=1/C19H19ClN2O3S/c1-3-22-18-15(24-4-2)6-5-7-16(18)26-19(22)21-17(23)12-25-14-10-8-13(20)9-11-14/h5-11H,3-4,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,25,7,6,8,19,21,18,22,15,20,17,5,9,13,4,11,23,12,3,14,24,16,10/E:(8,9)(10,11)/rA:26nCCNCCCCCCSCNCOCOCCCCCCClOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s5;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19ClN2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1168 |
Area: | 582.152 |
Solvation: | -4.43698 |
Coulombic: | -39.5479 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 390.885 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.91 |
LogP (Chemaxon): | 5.35 |
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 |
---|