COc1ccc2nc(CN3CCN(c4ccc(O)cc4)CC3)sc2n1
SMILES: COc1ccc2nc(CN3CCN(c4ccc(O)cc4)CC3)sc2n1

Molecular Processing

Molecular formula
C18H20N4O2S
Molecular weight
356.45
Exact mass
356.1307
XLogP
2.73
TPSA
61.72
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
99.56

Supplementary Information

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