CC(C)(C)OC(=O)n1c(-c2cc(OS(=O)(=O)C(F)(F)F)c(Cl)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21
SMILES: CC(C)(C)OC(=O)n1c(-c2cc(OS(=O)(=O)C(F)(F)F)c(Cl)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

Molecular Processing

Molecular formula
C28H29ClF3N3O6S
Molecular weight
628.07
Exact mass
627.1418
XLogP
6.2
TPSA
106.94
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
42
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
149.92

Supplementary Information

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