이름: 2-(4-cyanobenzoylamino)-4-methylthiazole-5-carboxylic acid benzylamide
SMILES:
Cc1nc(NC(=O)c2ccc(C#N)cc2)sc1C(=O)NCc1ccccc1Molecular Processing
Molecular formula
C20H16N4O2S
Molecular weight
376.44
Exact mass
376.0994
XLogP
3.51
TPSA
94.88
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
103.57
Supplementary Information
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