200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 1112259-47-8
1112259-47-8 | 7-benzyl-2-propyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CAS No: 1112259-47-8 Catalog No: AG01AAUF MDL No:MFCD17480433
Product Description
Catalog Number:
AG01AAUF
Chemical Name:
7-benzyl-2-propyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CAS Number:
1112259-47-8
Molecular Formula:
C17H21N3O
Molecular Weight:
283.3681
MDL Number:
MFCD17480433
IUPAC Name:
7-benzyl-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C17H21N3O/c1-2-6-16-18-15-12-20(10-9-14(15)17(21)19-16)11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,19,21)
InChI Key:
QOFQVVRZZDJYEM-UHFFFAOYSA-N
SMILES:
CCCc1nc2CN(CCc2c(=O)[nH]1)Cc1ccccc1
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.375g/mol
Monoisotopic Mass:
283.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.