CC(SC1COC(c2ccc(C(=O)NCc3ccc(C#N)cc3)cc2)OC1)C(O)(Cn1cncn1)c1ccc(F)cc1F
SMILES: CC(SC1COC(c2ccc(C(=O)NCc3ccc(C#N)cc3)cc2)OC1)C(O)(Cn1cncn1)c1ccc(F)cc1F

Molecular Processing

Molecular formula
C31H29F2N5O4S
Molecular weight
605.67
Exact mass
605.1908
XLogP
4.48
TPSA
122.29
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
43
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.29
Molar refractivity
154.53

Supplementary Information

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