SMILES:
CCCCSc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1Molecular Processing
Molecular formula
C25H24N2O2S
Molecular weight
416.55
Exact mass
416.1558
XLogP
6.34
TPSA
55.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
123.3
Supplementary Information
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