ChemDB: Chemical Search
Download
Chemical ID: 6272588
Chemical ID:
6272588
Name [?]:
N-[6-bromo-3-(2-ethoxyethyl)benzothiazol-2-ylidene]-2,5-dichloro-benzamide
SMILES [?]:
CCOCCn1c2ccc(cc2sc1=NC(=O)c3cc(ccc3Cl)Cl)Br
InChi [?]:
InChI=1/C18H15BrCl2N2O2S/c1-2-25-8-7-23-15-6-3-11(19)9-16(15)26-18(23)22-17(24)13-10-12(20)4-5-14(13)21/h3-6,9-10H,2,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,21,22,8,5,4,11,19,10,20,18,23,7,12,16,14,26,25,24,15,6,17,3,13/rA:26nCCOCCNCCCCCCSCNCOCCCCCCClClBr/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;w14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s20;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15BrCl2N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8531 |
Area: | 584.646 |
Solvation: | -2.76309 |
Coulombic: | -33.3976 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 474.199 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.12 |
LogP (Chemaxon): | 6.63 |
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 |
---|