SMILES:
CN(C)Cc1ccc(CSCCNc2ncc(Cc3ccc(CN(C)C)s3)c(=O)[nH]2)o1Molecular Processing
Molecular formula
C22H31N5O2S2
Molecular weight
461.66
Exact mass
461.1919
XLogP
3.48
TPSA
77.4
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
130.12
Supplementary Information
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