SMILES:
Cl.O=C(O)c1cc(OCCCN2CCN(c3cccc4sccc34)CC2)c2ccccc2n1Molecular Processing
Molecular formula
C25H26ClN3O3S
Molecular weight
484.02
Exact mass
483.1383
XLogP
5.16
TPSA
65.9
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.28
Molar refractivity
136.54
Supplementary Information
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