CC(=NNC(=S)Nc1ccc(C(=O)O)cc1)c1csc(-c2ccc(C(C)(C)C)cc2)c1O
SMILES: CC(=NNC(=S)Nc1ccc(C(=O)O)cc1)c1csc(-c2ccc(C(C)(C)C)cc2)c1O

Molecular Processing

Molecular formula
C24H25N3O3S2
Molecular weight
467.62
Exact mass
467.1337
XLogP
5.83
TPSA
93.95
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
135.09

Supplementary Information

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