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117998-90-0 | N-(benzo[d]thiazol-2-ylmethyl)benzamide
CAS No: 117998-90-0 Catalog No: AG01BK9M MDL No:MFCD10484207
Product Description
Catalog Number:
AG01BK9M
Chemical Name:
N-(benzo[d]thiazol-2-ylmethyl)benzamide
CAS Number:
117998-90-0
Molecular Formula:
C15H12N2OS
Molecular Weight:
268.3336
MDL Number:
MFCD10484207
IUPAC Name:
N-(1,3-benzothiazol-2-ylmethyl)benzamide
InChI:
InChI=1S/C15H12N2OS/c18-15(11-6-2-1-3-7-11)16-10-14-17-12-8-4-5-9-13(12)19-14/h1-9H,10H2,(H,16,18)
InChI Key:
PYQZKWAXOBMOAR-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NCc1nc2c(s1)cccc2
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.334g/mol
Monoisotopic Mass:
268.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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