ChemDB: Chemical Search
Download
Chemical ID: 6277153
Chemical ID:
6277153
Name [?]:
methyl 2-[2-(2,4-dichlorobenzoyl)imino-6-methyl-benzothiazol-3-yl]acetate
SMILES [?]:
Cc1ccc2c(c1)sc(=NC(=O)c3ccc(cc3Cl)Cl)n2CC(=O)OC
InChi [?]:
InChI=1/C18H14Cl2N2O3S/c1-10-3-6-14-15(7-10)26-18(22(14)9-16(23)25-2)21-17(24)12-5-4-11(19)8-13(12)20/h3-8H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,3,15,14,4,7,17,22,2,16,13,18,5,6,23,11,9,20,19,10,21,24,12,25,8/rA:26nCCCCCCCSCNCOCCCCCCClClNCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s16;s5s9;s21;s22;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14Cl2N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4909 |
Area: | 597.937 |
Solvation: | -3.45752 |
Coulombic: | -43.4356 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 409.287 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.23 |
LogP (Chemaxon): | 5.7 |
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 |
---|