CC1CN(Cc2ccc(NS(=O)(=O)c3ccc(Nc4ccc(F)cc4)nc3)cc2)CCN1C(=O)OC(C)(C)C
SMILES: CC1CN(Cc2ccc(NS(=O)(=O)c3ccc(Nc4ccc(F)cc4)nc3)cc2)CCN1C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C28H34FN5O4S
Molecular weight
555.68
Exact mass
555.2316
XLogP
5.21
TPSA
103.87
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
148.85

Supplementary Information

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