Chemical ID: 6272291

CCOCCn1c2ccccc2sc1=NC(=O)c3ccccc3Br
Chemical ID:
6272291
Name [?]:
2-bromo-N-[3-(2-ethoxyethyl)benzothiazol-2-ylidene]-benzamide
SMILES [?]:
CCOCCn1c2ccccc2sc1=NC(=O)c3ccccc3Br
InChi [?]:
InChI=1/C18H17BrN2O2S/c1-2-23-12-11-21-15-9-5-6-10-16(15)24-18(21)20-17(22)13-7-3-4-8-14(13)19/h3-10H,2,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,21,9,10,19,22,8,11,5,4,18,23,7,12,16,14,24,15,6,17,3,13/rA:24nCCOCCNCCCCCCSCNCOCCCCCCBr/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;w14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17BrN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.2649
Area:517.523
Solvation:-2.67316
Coulombic:-34.2325
Bond Count [?]
All:26
Single:18
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:405.31
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.88
LogP (Chemaxon):5.59

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