SMILES:
CNC(=O)CSc1cccc(C(OC2CCN(C)CC2)c2nc3ccccc3s2)c1Molecular Processing
Molecular formula
C23H27N3O2S2
Molecular weight
441.62
Exact mass
441.1545
XLogP
4.33
TPSA
54.46
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
124.3
Supplementary Information
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