SMILES:
CC1CC(F)c2ncnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)c4cc(Cl)ccc43)c21Molecular Processing
Molecular formula
C25H30ClFN4O2
Molecular weight
472.99
Exact mass
472.2041
XLogP
6.07
TPSA
58.56
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.56
Molar refractivity
126.09
Supplementary Information
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