Chemical ID: 6272588

CCOCCn1c2ccc(cc2sc1=NC(=O)c3cc(ccc3Cl)Cl)Br
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

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