CC(C)(C)OC(=O)NCC12CN(c3c(F)cc4c(=O)c(C(=O)O)cn([C@@H]5C[C@@H]5F)c4c3F)CC1CCO2
Name: product
SMILES: CC(C)(C)OC(=O)NCC12CN(c3c(F)cc4c(=O)c(C(=O)O)cn([C@@H]5C[C@@H]5F)c4c3F)CC1CCO2

Molecular Processing

Molecular formula
C25H28F3N3O6
Molecular weight
523.51
Exact mass
523.193
XLogP
3.38
TPSA
110.1
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
37
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.56
Molar refractivity
126.87

Supplementary Information

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