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Home > Pyridines > 852377-18-5
852377-18-5 | 6-[(phenylsulfanyl)methyl]-2-(pyridin-3-yl)pyrimidin-4-ol
CAS No: 852377-18-5 Catalog No: AG00INEF MDL No:MFCD06200916
Product Description
Catalog Number:
AG00INEF
Chemical Name:
6-[(phenylsulfanyl)methyl]-2-(pyridin-3-yl)pyrimidin-4-ol
CAS Number:
852377-18-5
Molecular Formula:
C16H13N3OS
Molecular Weight:
295.3589
MDL Number:
MFCD06200916
IUPAC Name:
4-(phenylsulfanylmethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
InChI:
InChI=1S/C16H13N3OS/c20-15-9-13(11-21-14-6-2-1-3-7-14)18-16(19-15)12-5-4-8-17-10-12/h1-10H,11H2,(H,18,19,20)
InChI Key:
FFJXLOVSWAVXRA-UHFFFAOYSA-N
SMILES:
Oc1cc(CSc2ccccc2)nc(n1)c1cccnc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.36g/mol
Monoisotopic Mass:
295.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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