SMILES:
Clc1cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c2c1SCc1ccccc1Molecular Processing
Molecular formula
C25H25ClN4O2S
Molecular weight
481.02
Exact mass
480.1387
XLogP
5.28
TPSA
63.27
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
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
1
Fraction Csp3
0.28
Molar refractivity
133.09
Supplementary Information
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