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Home > Pyridines > 1781241-42-6
1781241-42-6 | 3-[(4-methanesulfonylphenyl)methyl]-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
CAS No: 1781241-42-6 Catalog No: AG00IWKM MDL No:MFCD28805995
Product Description
Catalog Number:
AG00IWKM
Chemical Name:
3-[(4-methanesulfonylphenyl)methyl]-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
CAS Number:
1781241-42-6
Molecular Formula:
C15H17N3O3S
Molecular Weight:
319.3788
MDL Number:
MFCD28805995
IUPAC Name:
3-[(4-methylsulfonylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
InChI:
InChI=1S/C15H17N3O3S/c1-22(20,21)12-4-2-11(3-5-12)9-18-10-17-14-6-7-16-8-13(14)15(18)19/h2-5,10,16H,6-9H2,1H3
InChI Key:
XTTDYWWQMZBGQZ-UHFFFAOYSA-N
SMILES:
O=c1n(cnc2c1CNCC2)Cc1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.099g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.379g/mol
Monoisotopic Mass:
319.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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