CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)CC(C3=CC=CC=C3)N)Br
CAS: 2617827-21-9
Name: 3-[(2R)-2-amino-2-phenylethyl]-5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
SMILES: CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)CC(C3=CC=CC=C3)N)Br

Molecular Processing

Molecular formula
C21H18BrF4N3O2
Molecular weight
500.29
Exact mass
499.0519
XLogP
3.99
TPSA
70.02
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
111.27

Supplementary Information

InChIKey: FAVHUXYGYIOABV-KRWDZBQOSA-N
Synonyme
5-bromo-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-3-[2(R)-amino-2-phenylethyl]-pyrimidine-2,4(1H,3H)-dioneAQ74B8XH9HSCHEMBL46789342617827-21-92,4(1H,3H)-Pyrimidinedione, 3-[(2R)-2-amino-2-phenylethyl]-5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-3-[(2R)-2-Amino-2-phenylethyl]-5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione
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