SMILES:
Cn1nnnc1C(=NOCc1csc(NCCC2CCCCC2)n1)c1ccccc1Molecular Processing
Molecular formula
C21H27N7OS
Molecular weight
425.56
Exact mass
425.1998
XLogP
4.02
TPSA
90.11
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
117.46
Supplementary Information
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