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15864-17-2 | Benzamide, N-(6-bromo-2-benzothiazolyl)-4-methoxy-
CAS No: 15864-17-2 Catalog No: AG001QDW MDL No:
Product Description
Catalog Number:
AG001QDW
Chemical Name:
Benzamide, N-(6-bromo-2-benzothiazolyl)-4-methoxy-
CAS Number:
15864-17-2
Molecular Formula:
C15H11BrN2O2S
Molecular Weight:
363.2290
IUPAC Name:
N-(6-bromo-1,3-benzothiazol-2-yl)-4-methoxybenzamide
InChI:
InChI=1S/C15H11BrN2O2S/c1-20-11-5-2-9(3-6-11)14(19)18-15-17-12-7-4-10(16)8-13(12)21-15/h2-8H,1H3,(H,17,18,19)
InChI Key:
JQILGDVBVCMYCS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Nc1nc2c(s1)cc(cc2)Br
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.972g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.229g/mol
Monoisotopic Mass:
361.972g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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