SMILES:
CC(=O)NCC1CN(c2ccc(N3CC4CN(C(=O)COCc5ccccc5)CC4C3)c(F)c2)C(=O)O1Molecular Processing
Molecular formula
C27H31FN4O5
Molecular weight
510.57
Exact mass
510.2278
XLogP
2.4
TPSA
91.42
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
37
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
134.57
Supplementary Information
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