SMILES:
CN(C)Cc1ccc(CSCCNc2ncc(Cc3ccc(CN(C)C)o3)c(=O)[nH]2)o1Molecular Processing
Molecular formula
C22H31N5O3S
Molecular weight
445.59
Exact mass
445.2148
XLogP
3.02
TPSA
90.54
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
124.51
Supplementary Information
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