SMILES:
Cc1cccnc1-c1nc(N2CCC(CS(C)(=O)=O)CC2)ncc1ClMolecular Processing
Molecular formula
C17H21ClN4O2S
Molecular weight
380.9
Exact mass
380.1074
XLogP
2.76
TPSA
76.05
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
99.66
Supplementary Information
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