COc1cc(OCC2CC2)c(-c2ccnc3c(C(=O)N[C@H]4CC[C@H](NC(=O)[C@H](C)O)CC4)c(C)[nH]c23)cc1F
SMILES: COc1cc(OCC2CC2)c(-c2ccnc3c(C(=O)N[C@H]4CC[C@H](NC(=O)[C@H](C)O)CC4)c(C)[nH]c23)cc1F

Molecular Processing

Molecular formula
C29H35FN4O5
Molecular weight
538.62
Exact mass
538.2591
XLogP
4.01
TPSA
125.57
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
144.33

Supplementary Information

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