SMILES:
Cc1ccc(Cc2cnc(NCCSCc3ccc(CN(C)C)o3)[nH]c2=O)cn1Molecular Processing
Molecular formula
C21H27N5O2S
Molecular weight
413.55
Exact mass
413.1885
XLogP
3.06
TPSA
87.05
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
117.39
Supplementary Information
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