SMILES:
Cc1nc(N2CCN(Cc3ccc(C#N)cc3)C2=O)sc1C(=O)NCc1ccccc1Molecular Processing
Molecular formula
C23H21N5O2S
Molecular weight
431.52
Exact mass
431.1416
XLogP
3.7
TPSA
89.33
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
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
0.217
Molar refractivity
118.77
Supplementary Information
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