SMILES:
COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C1CCS(=O)CC1Molecular Processing
Molecular formula
C25H31NO4S2
Molecular weight
473.66
Exact mass
473.1695
XLogP
5.27
TPSA
63.68
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.52
Molar refractivity
130.6
Supplementary Information
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