SMILES:
Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCC2)sc2ccccc12Molecular Processing
Molecular formula
C26H30N2O3S
Molecular weight
450.6
Exact mass
450.1977
XLogP
6.1
TPSA
69.64
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
130.54
Supplementary Information
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