SMILES:
O=C(Nc1ccccc1Cl)N1CCN(c2nc(-c3ccccc3)ns2)CC1Molecular Processing
Molecular formula
C19H18ClN5OS
Molecular weight
399.91
Exact mass
399.0921
XLogP
4.21
TPSA
61.36
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
109.6
Supplementary Information
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