SMILES:
Cl.c1ccc2c(OCCCN3CCN(c4cccc5sccc45)CC3)ccnc2c1Molecular Processing
Molecular formula
C24H26ClN3OS
Molecular weight
440.01
Exact mass
439.1485
XLogP
5.46
TPSA
28.6
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.292
Molar refractivity
129.58
Supplementary Information
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