Name: 3-((R)-2-amino-2-phenyl-ethyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-5-[4-(3-nitro-benzyl)-piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILES:
Cc1c(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)FMolecular Processing
Molecular formula
C32H32F4N6O4
Molecular weight
640.64
Exact mass
640.2421
XLogP
4.46
TPSA
119.64
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
46
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
164.16
Supplementary Information
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