CC(C)(C)OC(=O)NC1Cn2c(nc3cc(C(=O)O)ccc32)CC1c1cc(F)c(F)cc1F
SMILES: CC(C)(C)OC(=O)NC1Cn2c(nc3cc(C(=O)O)ccc32)CC1c1cc(F)c(F)cc1F

Molecular Processing

Molecular formula
C23H22F3N3O4
Molecular weight
461.44
Exact mass
461.1562
XLogP
4.39
TPSA
93.45
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
112.61

Supplementary Information

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