Name: (R)-2-[4-(5-cyclopropyl-1H-pyrazol-3-ylamino)-6-methyl-5-nitropyrimidin-2-ylamino]-2-(4-fluorophenyl)ethanol
SMILES:
Cc1nc(N[C@@H](CO)c2ccc(F)cc2)nc(Nc2cc(C3CC3)[nH]n2)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C19H20FN7O3
Molecular weight
413.41
Exact mass
413.1612
XLogP
3.32
TPSA
141.89
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
107.12
Supplementary Information
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