Name: (S)-ethyl 6-(5-cyclopropyl-1H-pyrazol-3-ylamino)-2-[1-(4-fluorophenyl)ethylamino]-5-nitropyrimidine-4-carboxylate
SMILES:
CCOC(=O)c1nc(N[C@@H](C)c2ccc(F)cc2)nc(Nc2cc(C3CC3)[nH]n2)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C21H22FN7O4
Molecular weight
455.45
Exact mass
455.1717
XLogP
4.22
TPSA
147.96
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
116.93
Supplementary Information
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