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145733-62-6 | Pyrido[2,3-d]pyrimidin-7(6H)-one, 8-[(4-bromophenyl)methyl]-5,8-dihydro-2,4-dimethyl-
CAS No: 145733-62-6 Catalog No: AG001DDA MDL No:MFCD18382550
Product Description
Catalog Number:
AG001DDA
Chemical Name:
Pyrido[2,3-d]pyrimidin-7(6H)-one, 8-[(4-bromophenyl)methyl]-5,8-dihydro-2,4-dimethyl-
CAS Number:
145733-62-6
Molecular Formula:
C16H16BrN3O
Molecular Weight:
346.2217
MDL Number:
MFCD18382550
IUPAC Name:
8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
InChI:
InChI=1S/C16H16BrN3O/c1-10-14-7-8-15(21)20(16(14)19-11(2)18-10)9-12-3-5-13(17)6-4-12/h3-6H,7-9H2,1-2H3
InChI Key:
RIGIQZIXVFCURM-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CN1C(=O)CCc2c1nc(C)nc2C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.048g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.228g/mol
Monoisotopic Mass:
345.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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