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Home > Pyridines > 1031990-66-5
1031990-66-5 | 7-benzyl-2-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CAS No: 1031990-66-5 Catalog No: AG00J7LO MDL No:MFCD14729817
Product Description
Catalog Number:
AG00J7LO
Chemical Name:
7-benzyl-2-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CAS Number:
1031990-66-5
Molecular Formula:
C21H21N3O
Molecular Weight:
331.4109
MDL Number:
MFCD14729817
IUPAC Name:
7-benzyl-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C21H21N3O/c1-15-7-9-17(10-8-15)20-22-19-14-24(12-11-18(19)21(25)23-20)13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,22,23,25)
InChI Key:
IEPDZFAGLVPLML-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc2CN(CCc2c(=O)[nH]1)Cc1ccccc1
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.419g/mol
Monoisotopic Mass:
331.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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