SMILES:
CCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(NC1(C#N)COC1)CC2Molecular Processing
Molecular formula
C25H31N3O3S
Molecular weight
453.61
Exact mass
453.2086
XLogP
3.04
TPSA
91.22
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
124.65
Supplementary Information
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