SMILES:
Cc1ccc(C(=O)Nc2c(NC(=O)CN3CCSCC3)ccc3c2C(=O)c2ccccc2C3=O)cc1Molecular Processing
Molecular formula
C28H25N3O4S
Molecular weight
499.59
Exact mass
499.1566
XLogP
4.01
TPSA
95.58
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
141.28
Supplementary Information
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