SMILES:
CN(C)Cc1ccc(CSCCNc2ncc(Cc3ccc(CN(C)C)s3)c(=O)[nH]2)s1Molecular Processing
Molecular formula
C22H31N5OS3
Molecular weight
477.73
Exact mass
477.1691
XLogP
3.95
TPSA
64.26
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
135.74
Supplementary Information
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