SMILES:
N#C[C@@H]1C[C@H](F)CN1C(=O)CNC12CCC(C(=O)Nc3nc(-c4ccncc4)cs3)(CC1)CC2Molecular Processing
Molecular formula
C24H27FN6O2S
Molecular weight
482.59
Exact mass
482.19
XLogP
3.29
TPSA
111.01
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
34
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.542
Molar refractivity
125.47
Supplementary Information
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