Chemical ID: 6272422

CCOCCn1c2ccc(cc2sc1=NC(=O)c3cccc(c3)Br)Cl
Chemical ID:
6272422
Name [?]:
3-bromo-N-[6-chloro-3-(2-ethoxyethyl)benzothiazol-2-ylidene]-benzamide
SMILES [?]:
CCOCCn1c2ccc(cc2sc1=NC(=O)c3cccc(c3)Br)Cl
InChi [?]:
InChI=1/C18H16BrClN2O2S/c1-2-24-9-8-22-15-7-6-14(20)11-16(15)25-18(22)21-17(23)12-4-3-5-13(19)10-12/h3-7,10-11H,2,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,19,21,9,8,5,4,23,11,18,22,10,7,12,16,14,24,25,15,6,17,3,13/rA:25nCCOCCNCCCCCCSCNCOCCCCCCBrCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;w14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16BrClN2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.9064
Area:580.454
Solvation:-2.60499
Coulombic:-34.4093
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:439.755
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.5
LogP (Chemaxon):6.11

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