SMILES:
CC(C)(C)Cn1c(CN2C(=O)OC3(CCSCC3)C2=O)cc2cnc(C#N)nc21Molecular Processing
Molecular formula
C20H23N5O3S
Molecular weight
413.5
Exact mass
413.1522
XLogP
3.09
TPSA
101.11
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
108.02
Supplementary Information
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