N#Cc1cc(-n2c(-c3nonc3NCc3ccc(CN4CCS(=O)(=O)CC4)cc3)noc2=O)ccc1F.O=C(O)C(F)(F)F
SMILES: N#Cc1cc(-n2c(-c3nonc3NCc3ccc(CN4CCS(=O)(=O)CC4)cc3)noc2=O)ccc1F.O=C(O)C(F)(F)F

Molecular Processing

Molecular formula
C25H21F4N7O7S
Molecular weight
639.54
Exact mass
639.1159
XLogP
2.36
TPSA
197.45
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
7
Heavy atoms
44
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
19
Covalent units
2
Fraction Csp3
0.28
Molar refractivity
141.46

Supplementary Information

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