Nombre: title compound
SMILES:
CN1CCN(Cc2ccc(NC(=O)c3ccc(-c4csc5ccccc45)c4nccnc34)nc2)CC1Molecular Processing
Molecular formula
C28H26N6OS
Molecular weight
494.62
Exact mass
494.1889
XLogP
4.91
TPSA
74.25
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
36
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
145.32
Supplementary Information
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