Name: ethyl 9-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(S)-1-(4-fluorophenyl)ethylamino]-9H-purine-6-carboxylate
SMILES:
CCOC(=O)c1nc(N[C@@H](C)c2ccc(F)cc2)nc2c1ncn2-c1cc(C2CC2)[nH]n1Molecular Processing
Molecular formula
C22H22FN7O2
Molecular weight
435.46
Exact mass
435.1819
XLogP
3.9
TPSA
110.61
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
115.17
Supplementary Information
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