SMILES:
O=C1N=C(N(CCO)CCO)SC1=Cc1ccc2c(cnn2Cc2ccc(Cl)cc2C(F)(F)F)c1Molecular Processing
Molecular formula
C23H20ClF3N4O3S
Molecular weight
524.95
Exact mass
524.0897
XLogP
4.01
TPSA
90.95
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
129.04
Supplementary Information
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