SMILES:
CC(=O)NCC1CN(c2ccc(N3CCC(O)(CNC4CC4)CC3)c(F)c2)C(=O)O1Molecular Processing
Molecular formula
C21H29FN4O4
Molecular weight
420.49
Exact mass
420.2173
XLogP
1.37
TPSA
94.14
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
110.12
Supplementary Information
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