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Chemical ID: 6530015
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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