SMILES:
O=C(CCCN1CCN(c2ccc(F)cc2)CC1)NC1c2ccccc2CSc2ccccc21Molecular Processing
Molecular formula
C28H30FN3OS
Molecular weight
475.63
Exact mass
475.2094
XLogP
5.24
TPSA
35.58
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
136.72
Supplementary Information
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