名称: 1
SMILES:
O=C(O)C1(N2CCNCC2c2ccsc2)CN(c2ccc(F)cc2)c2ccc(F)cc2C1=OMolecular Processing
Molecular formula
C24H21F2N3O3S
Molecular weight
469.51
Exact mass
469.1272
XLogP
3.83
TPSA
72.88
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
121.14
Supplementary Information
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