COc1cccc([C@@H](Oc2cc3cnn(-c4ccc(F)cc4)c3cc2C)[C@H](C)NC(=O)C(C)(C)C)c1
SMILES: COc1cccc([C@@H](Oc2cc3cnn(-c4ccc(F)cc4)c3cc2C)[C@H](C)NC(=O)C(C)(C)C)c1

Molecular Processing

Molecular formula
C29H32FN3O3
Molecular weight
489.59
Exact mass
489.2428
XLogP
6.15
TPSA
65.38
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
139.19

Supplementary Information

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