SMILES:
Cc1ccc(-c2c(C(C)N)nc3scc(C)n3c2=O)cc1Molecular Processing
Molecular formula
C16H17N3OS
Molecular weight
299.4
Exact mass
299.1092
XLogP
3.06
TPSA
60.39
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
86.85
Supplementary Information
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