Chemical ID: 6669260

COc1ccc(cc1NC(=O)Nc2nc3c(s2)cccc3Cl)Cl
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

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