SMILES:
CC1CCCN1C1CC(c2nc3ccc(-n4ncccc4=O)cc3s2)C1Molecular Processing
Molecular formula
C20H22N4OS
Molecular weight
366.49
Exact mass
366.1514
XLogP
3.57
TPSA
51.02
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
26
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
104.18
Supplementary Information
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