COC(=O)C=C1C=CC=C(Nc2ncc(F)c(NC3=CC=CC(=CC(=O)OC)C3)n2)C1
SMILES: COC(=O)C=C1C=CC=C(Nc2ncc(F)c(NC3=CC=CC(=CC(=O)OC)C3)n2)C1

Molecular Processing

Molecular formula
C22H21FN4O4
Molecular weight
424.43
Exact mass
424.1547
XLogP
3.33
TPSA
102.44
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
113.11

Supplementary Information

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