SMILES:
CCCCNc1nnc(NCCCOc2cccc(CN3CCCCC3)c2)s1Molecular Processing
Molecular formula
C21H33N5OS
Molecular weight
403.6
Exact mass
403.2406
XLogP
4.62
TPSA
62.31
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
117.48
Supplementary Information
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