SMILES:
CCCS(=O)(=O)CCNCC1(c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)CC=CO1Molecular Processing
Molecular formula
C31H32ClFN4O4S
Molecular weight
611.14
Exact mass
610.1817
XLogP
6.29
TPSA
102.44
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
42
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.29
Molar refractivity
163.34
Supplementary Information
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