SMILES:
CCCN1CC(C(=O)OCC)=CC2Cc3nc(N)sc3CC21Molecular Processing
Molecular formula
C16H23N3O2S
Molecular weight
321.45
Exact mass
321.1511
XLogP
2.02
TPSA
68.45
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
87.79
Supplementary Information
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