Name: (S)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-[1-(4-fluorophenyl)ethyl]-5-nitropyrimidine-2,4-diamine
SMILES:
C[C@H](Nc1ncc([N+](=O)[O-])c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1Molecular Processing
Molecular formula
C18H18FN7O2
Molecular weight
383.39
Exact mass
383.1506
XLogP
4.04
TPSA
121.66
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
100.97
Supplementary Information
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