SMILES:
Cc1[nH]c2ccc(NS(C)(=O)=O)cc2c1C1=CCN(C)CC1Molecular Processing
Molecular formula
C16H21N3O2S
Molecular weight
319.43
Exact mass
319.1354
XLogP
2.57
TPSA
65.2
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
91.59
Supplementary Information
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