CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnc(CN3CCC3)c2)cc1F
SMILES: CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnc(CN3CCC3)c2)cc1F

Molecular Processing

Molecular formula
C29H27ClF2N4O5S2
Molecular weight
649.14
Exact mass
648.1079
XLogP
7.27
TPSA
101.93
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
43
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.276
Molar refractivity
159.02

Supplementary Information

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