SMILES:
CS(=O)C1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21Molecular Processing
Molecular formula
C27H28N2O2S
Molecular weight
444.6
Exact mass
444.1871
XLogP
5.74
TPSA
49.41
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
131.25
Supplementary Information
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