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62458-96-2 | 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE
CAS No: 62458-96-2 Catalog No: AG00E9P3 MDL No:MFCD11869804
Product Description
Catalog Number:
AG00E9P3
Chemical Name:
7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE
CAS Number:
62458-96-2
Molecular Formula:
C14H15N3O
Molecular Weight:
241.2884
MDL Number:
MFCD11869804
IUPAC Name:
7-benzyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C14H15N3O/c18-14-12-6-7-17(9-13(12)15-10-16-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,16,18)
InChI Key:
NBOPLUXBZUJFHI-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnc2c1CCN(C2)Cc1ccccc1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.294g/mol
Monoisotopic Mass:
241.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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