SMILES:
O=C(Nc1cn(CC(=O)N2CCC(C(=O)OCC3CCNCC3)CC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12Molecular Processing
Molecular formula
C31H33ClF2N8O5
Molecular weight
671.11
Exact mass
670.2231
XLogP
3.88
TPSA
144.98
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
47
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.419
Molar refractivity
166.1
Supplementary Information
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