ChemDB: Chemical Search
Download
Chemical ID: 6669260
Chemical ID:
6669260
Name [?]:
3-(4-chlorobenzothiazol-2-yl)-1-(5-chloro-2-methoxy-phenyl)-urea
SMILES [?]:
COc1ccc(cc1NC(=O)Nc2nc3c(s2)cccc3Cl)Cl
InChi [?]:
InChI=1/C15H11Cl2N3O2S/c1-22-11-6-5-8(16)7-10(11)18-14(21)20-15-19-13-9(17)3-2-4-12(13)23-15/h2-7H,1H3,(H2,18,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,5,4,7,6,21,8,3,16,15,10,13,23,22,9,14,12,11,2,17/rA:23nCOCCCCCCNCONCNCCSCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;s15;s13s16;d16;s18;d19;d15s20;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11Cl2N3O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1772 |
Area: | 546.013 |
Solvation: | -3.47316 |
Coulombic: | -48.7136 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 368.238 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.55 |
LogP (Chemaxon): | 5.32 |
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 |
---|