Chemical ID: 6530015

CC(=O)Nc1nc2cc(ccc2s1)Br
Chemical ID:
6530015
Name [?]:
N-(5-bromobenzothiazol-2-yl)acetamide
SMILES [?]:
CC(=O)Nc1nc2cc(ccc2s1)Br
InChi [?]:
InChI=1/C9H7BrN2OS/c1-5(13)11-9-12-7-4-6(10)2-3-8(7)14-9/h2-4H,1H3,(H,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,10,11,8,2,9,7,12,5,14,4,6,3,13/rA:14nCCONCNCCCCCCSBr/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;d7s11;s5s12;s9;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7BrN2OS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.01808
Area:380.845
Solvation:-2.50304
Coulombic:-24.8357
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:271.135
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.98
LogP (Chemaxon):3.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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