Home Other Building Blocks 7-benzyl-2-[4-(trifluoromethyl)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one hydrochloride

7-benzyl-2-[4-(trifluoromethyl)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one hydrochloride

CAS No.:
1803603-84-0
Catalog Number:
AG01BEO8
Molecular Formula:
C21H19ClF3N3O
Molecular Weight:
421.8433
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Product Description
Catalog Number:
AG01BEO8
Chemical Name:
7-benzyl-2-[4-(trifluoromethyl)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one hydrochloride
CAS Number:
1803603-84-0
Molecular Formula:
C21H19ClF3N3O
Molecular Weight:
421.8433
MDL Number:
MFCD28118379
IUPAC Name:
7-benzyl-2-[4-(trifluoromethyl)phenyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;hydrochloride
InChI:
InChI=1S/C21H18F3N3O.ClH/c22-21(23,24)16-8-6-15(7-9-16)19-25-18-13-27(11-10-17(18)20(28)26-19)12-14-4-2-1-3-5-14;/h1-9H,10-13H2,(H,25,26,28);1H
InChI Key:
HGCNQWMTUQFMNO-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(nc2c1CCN(C2)Cc1ccccc1)c1ccc(cc1)C(F)(F)F.Cl
Properties
Complexity:
656  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.117g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
421.848g/mol
Monoisotopic Mass:
421.117g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties