CC(C)C(C)(NC(=O)c1nc2sccc2cc1C(=O)O)C(N)=O
Name: 6-[(1-Carbamoyl-1,2-dimethylpropyl)carbamoyl]thieno[2,3-b]pyridine-5-carboxylic acid
SMILES: CC(C)C(C)(NC(=O)c1nc2sccc2cc1C(=O)O)C(N)=O

Molecular Processing

Molecular formula
C15H17N3O4S
Molecular weight
335.39
Exact mass
335.094
XLogP
1.62
TPSA
122.38
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
86.48

Supplementary Information

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