SMILES:
CC(O)(Cc1ccccc1)CN1CCC2(CC1)CSC1=C(O2)c2ccccc2C(=O)C1=OMolecular Processing
Molecular formula
C26H27NO4S
Molecular weight
449.57
Exact mass
449.1661
XLogP
3.71
TPSA
66.84
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
125.42
Supplementary Information
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