Cn1c(SC[C@@H]2C[C@H](CC(=O)OC(C)(C)Cc3ccccc3)OC(C)(C)O2)nc2ccccc21
SMILES: Cn1c(SC[C@@H]2C[C@H](CC(=O)OC(C)(C)Cc3ccccc3)OC(C)(C)O2)nc2ccccc21

Molecular Processing

Molecular formula
C27H34N2O4S
Molecular weight
482.65
Exact mass
482.2239
XLogP
5.53
TPSA
62.58
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
134.81

Supplementary Information

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