SMILES:
O=C(NCCC1C2CC3CC(C2)CC1C3)c1cnc(OCC2CO2)s1Molecular Processing
Molecular formula
C19H26N2O3S
Molecular weight
362.5
Exact mass
362.1664
XLogP
3.11
TPSA
63.75
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
25
Rings
6
Aromatic rings
1
Saturated rings
5
Aliphatic rings
5
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.789
Molar refractivity
94.83
Supplementary Information
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