SMILES:
CC(=O)c1ccc(OCCCN2CCC(c3nsc4cc(F)ccc34)CC2)c(O)c1Molecular Processing
Molecular formula
C23H25FN2O3S
Molecular weight
428.53
Exact mass
428.157
XLogP
4.99
TPSA
62.66
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
116.22
Supplementary Information
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