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62259-92-1 | 7-Benzyl-2-Methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyriMidin-4-one
CAS No: 62259-92-1 Catalog No: AG00ECG3 MDL No:MFCD22552967
Product Description
Catalog Number:
AG00ECG3
Chemical Name:
7-Benzyl-2-Methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyriMidin-4-one
CAS Number:
62259-92-1
Molecular Formula:
C15H17N3O
Molecular Weight:
255.3150
MDL Number:
MFCD22552967
IUPAC Name:
7-benzyl-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C15H17N3O/c1-11-16-14-10-18(8-7-13(14)15(19)17-11)9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,16,17,19)
InChI Key:
HSHFWFQDSHKRIT-UHFFFAOYSA-N
SMILES:
Cc1nc2CN(CCc2c(=O)[nH]1)Cc1ccccc1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.321g/mol
Monoisotopic Mass:
255.137g/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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