SMILES:
CCc1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)nc(C#N)nc2s1Molecular Processing
Molecular formula
C18H23N5O2S
Molecular weight
373.48
Exact mass
373.1572
XLogP
3.18
TPSA
82.35
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
26
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
0.556
Molar refractivity
101.53
Supplementary Information
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