O=C(c1cnc(NC23CC4CC(C2)CC(C(=O)O)(C4)C3)nc1C(F)(F)F)N1CCS(=O)(=O)CC1
SMILES: O=C(c1cnc(NC23CC4CC(C2)CC(C(=O)O)(C4)C3)nc1C(F)(F)F)N1CCS(=O)(=O)CC1

Molecular Processing

Molecular formula
C21H25F3N4O5S
Molecular weight
502.52
Exact mass
502.1498
XLogP
2.2
TPSA
129.56
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
34
Rings
6
Aromatic rings
1
Saturated rings
5
Aliphatic rings
5
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
112.7

Supplementary Information

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