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Home > Pyridines > 337923-71-4
337923-71-4 | 6-[(benzenesulfonyl)methyl]-2-(pyridin-4-yl)pyrimidin-4-ol
CAS No: 337923-71-4 Catalog No: AG00IN14 MDL No:MFCD01315269
Product Description
Catalog Number:
AG00IN14
Chemical Name:
6-[(benzenesulfonyl)methyl]-2-(pyridin-4-yl)pyrimidin-4-ol
CAS Number:
337923-71-4
Molecular Formula:
C16H13N3O3S
Molecular Weight:
327.3577
MDL Number:
MFCD01315269
IUPAC Name:
4-(benzenesulfonylmethyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
InChI:
InChI=1S/C16H13N3O3S/c20-15-10-13(11-23(21,22)14-4-2-1-3-5-14)18-16(19-15)12-6-8-17-9-7-12/h1-10H,11H2,(H,18,19,20)
InChI Key:
DTKUEJYJTZLGJI-UHFFFAOYSA-N
SMILES:
Oc1cc(nc(n1)c1ccncc1)CS(=O)(=O)c1ccccc1
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.068g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.358g/mol
Monoisotopic Mass:
327.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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