SMILES:
CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)O)C2CCC(=O)CC2)CC1Molecular Processing
Molecular formula
C25H29NO4S
Molecular weight
439.58
Exact mass
439.1817
XLogP
5.78
TPSA
74.68
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31
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
0.48
Molar refractivity
122.59
Supplementary Information
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