SMILES:
CN(C)CCSc1cc2c(cc1C#Cc1ccccc1)NC(=O)CC(c1cccc(C#N)c1)=N2Molecular Processing
Molecular formula
C28H24N4OS
Molecular weight
464.59
Exact mass
464.1671
XLogP
5.07
TPSA
68.49
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.179
Molar refractivity
138.74
Supplementary Information
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