SMILES:
Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)Cc5cccs5)c4)CC3)cccc2n1Molecular Processing
Molecular formula
C28H30N4OS
Molecular weight
470.64
Exact mass
470.214
XLogP
5.15
TPSA
48.47
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
141.93
Supplementary Information
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