SMILES:
O=S(=O)(NC1CCN(CCc2c[nH]c3ccccc23)CC1)C1CCCCC1Molecular Processing
Molecular formula
C21H31N3O2S
Molecular weight
389.57
Exact mass
389.2137
XLogP
3.43
TPSA
65.2
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
110.39
Supplementary Information
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