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1393456-97-7 | 5-Pyrimidinemethanol, 4-chloro-2-(methylthio)-α-phenyl-6-(1-piperidinyl)-
CAS No: 1393456-97-7 Catalog No: AG001ARY MDL No:
Product Description
Catalog Number:
AG001ARY
Chemical Name:
5-Pyrimidinemethanol, 4-chloro-2-(methylthio)-α-phenyl-6-(1-piperidinyl)-
CAS Number:
1393456-97-7
Molecular Formula:
C17H20ClN3OS
Molecular Weight:
349.8782
IUPAC Name:
(4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidin-5-yl)-phenylmethanol
InChI:
InChI=1S/C17H20ClN3OS/c1-23-17-19-15(18)13(14(22)12-8-4-2-5-9-12)16(20-17)21-10-6-3-7-11-21/h2,4-5,8-9,14,22H,3,6-7,10-11H2,1H3
InChI Key:
TYNLVMLTKYKUCP-UHFFFAOYSA-N
SMILES:
CSc1nc(Cl)c(c(n1)N1CCCCC1)C(c1ccccc1)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.102g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.877g/mol
Monoisotopic Mass:
349.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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