C[C@@H](Nc1nc(OC2CC2)c2nc(C#CC3CC3)ccc2n1)c1ccc(S(N)(=O)=O)cc1
SMILES: C[C@@H](Nc1nc(OC2CC2)c2nc(C#CC3CC3)ccc2n1)c1ccc(S(N)(=O)=O)cc1

Molecular Processing

Molecular formula
C23H23N5O3S
Molecular weight
449.54
Exact mass
449.1522
XLogP
3.15
TPSA
120.09
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
120.44

Supplementary Information

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