SMILES:
CC(C)(C)OC(=O)Nc1cc(SC#N)c(C(C)(C)C)cc1NC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C21H31N3O4S
Molecular weight
421.56
Exact mass
421.2035
XLogP
6.25
TPSA
100.45
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
29
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
116.33
Supplementary Information
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