COC(=O)C(OC(C)(C)C)c1c(C)nc2c(ccn2Cc2ccc(F)c(C)c2)c1-c1ccc(C)cc1
SMILES: COC(=O)C(OC(C)(C)C)c1c(C)nc2c(ccn2Cc2ccc(F)c(C)c2)c1-c1ccc(C)cc1

Molecular Processing

Molecular formula
C30H33FN2O3
Molecular weight
488.6
Exact mass
488.2475
XLogP
6.85
TPSA
53.35
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
140.48

Supplementary Information

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