CC(C)(C)OC(=O)c1ccc(NC(=S)C(C#N)C(N)=O)cc1
SMILES: CC(C)(C)OC(=O)c1ccc(NC(=S)C(C#N)C(N)=O)cc1

Molecular Processing

Molecular formula
C15H17N3O3S
Molecular weight
319.39
Exact mass
319.0991
XLogP
2.01
TPSA
105.21
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
86.13

Supplementary Information

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