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Home > Pyridines > 1060968-92-4
1060968-92-4 | 4-(1,3-dithiolan-2-yl)-N-(3-hydroxypyridin-2-yl)benzamide
CAS No: 1060968-92-4 Catalog No: AG019S0B MDL No:MFCD11774214
Product Description
Catalog Number:
AG019S0B
Chemical Name:
4-(1,3-dithiolan-2-yl)-N-(3-hydroxypyridin-2-yl)benzamide
CAS Number:
1060968-92-4
Molecular Formula:
C15H14N2O2S2
Molecular Weight:
318.4139
MDL Number:
MFCD11774214
IUPAC Name:
4-(1,3-dithiolan-2-yl)-N-(3-hydroxypyridin-2-yl)benzamide
InChI:
InChI=1S/C15H14N2O2S2/c18-12-2-1-7-16-13(12)17-14(19)10-3-5-11(6-4-10)15-20-8-9-21-15/h1-7,15,18H,8-9H2,(H,16,17,19)
InChI Key:
IOZLWSWLSUBSJM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C1SCCS1)Nc1ncccc1O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.05g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.409g/mol
Monoisotopic Mass:
318.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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