SMILES:
CN1CCN(c2cc(Sc3ccc(Cl)cc3)nc(-c3ccccc3)n2)CC1Molecular Processing
Molecular formula
C21H21ClN4S
Molecular weight
396.95
Exact mass
396.1175
XLogP
4.7
TPSA
32.26
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
112.75
Supplementary Information
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