ChemDB: Chemical Search
Download
Chemical ID: 6283384
Chemical ID:
6283384
Name [?]:
4-bromo-N-(4-chloro-3-methyl-benzothiazol-2-ylidene)-benzamide
SMILES [?]:
Cn1c2c(cccc2Cl)sc1=NC(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C15H10BrClN2OS/c1-19-13-11(17)3-2-4-12(13)21-15(19)18-14(20)9-5-7-10(16)8-6-9/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,5,16,20,17,19,15,18,8,4,3,13,11,21,9,12,2,14,10/E:(5,6)(7,8)/rA:21nCNCCCCCCClSCNCOCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s4;s2s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10BrClN2OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8678 |
Area: | 493.068 |
Solvation: | -1.45887 |
Coulombic: | -26.7581 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 381.675 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.27 |
LogP (Chemaxon): | 5.93 |
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 |
---|