SMILES:
Cc1ccc(Oc2ccc3nc(N)sc3n2)cc1NC(=O)c1cccc(C2(C#N)CC2)c1Molecular Processing
Molecular formula
C24H19N5O2S
Molecular weight
441.52
Exact mass
441.1259
XLogP
5.18
TPSA
113.92
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
124
Supplementary Information
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