SMILES:
N=C(Nc1ccc2[nH]cc(C3=CCN4CCCC4C3)c2c1)c1cccs1Molecular Processing
Molecular formula
C21H22N4S
Molecular weight
362.5
Exact mass
362.1565
XLogP
4.92
TPSA
54.91
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
110.26
Supplementary Information
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