SMILES:
CC(C)(C)OC(=O)N1CCC(Nc2c(N)cnc3c2ccn3S(=O)(=O)c2ccccc2)C(F)C1Molecular Processing
Molecular formula
C23H28FN5O4S
Molecular weight
489.57
Exact mass
489.1846
XLogP
3.61
TPSA
119.55
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
127.9
Supplementary Information
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