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1114604-21-5 | N-(2-acetamido-1,3-benzothiazol-6-yl)benzamide
CAS No: 1114604-21-5 Catalog No: AG01C2SI MDL No:MFCD14946550
Product Description
Catalog Number:
AG01C2SI
Chemical Name:
N-(2-acetamido-1,3-benzothiazol-6-yl)benzamide
CAS Number:
1114604-21-5
Molecular Formula:
C16H13N3O2S
Molecular Weight:
311.3583
MDL Number:
MFCD14946550
IUPAC Name:
N-(2-acetamido-1,3-benzothiazol-6-yl)benzamide
InChI:
InChI=1S/C16H13N3O2S/c1-10(20)17-16-19-13-8-7-12(9-14(13)22-16)18-15(21)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,21)(H,17,19,20)
InChI Key:
AIMHKTGTYYYSFU-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1nc2c(s1)cc(cc2)NC(=O)c1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.359g/mol
Monoisotopic Mass:
311.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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