SMILES:
CC(=O)N1C(C(=O)c2cn(C(=O)N(C)C)c3ccccc23)CSC1c1cccnc1Molecular Processing
Molecular formula
C22H22N4O3S
Molecular weight
422.51
Exact mass
422.1413
XLogP
3.41
TPSA
75.51
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
116.49
Supplementary Information
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