SMILES:
CC(C)C[C@@H](C(=O)Nc1ccn(C)n1)N1CC(Oc2cccc(C(C)(C)O)c2F)=CC1=OMolecular Processing
Molecular formula
C23H29FN4O4
Molecular weight
444.51
Exact mass
444.2173
XLogP
2.94
TPSA
96.69
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
117.15
Supplementary Information
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