SMILES:
COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CCC(C)CC1)C1CCC(=O)CC1Molecular Processing
Molecular formula
C26H31NO4S
Molecular weight
453.6
Exact mass
453.1974
XLogP
5.87
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
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
126.97
Supplementary Information
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