SMILES:
CN(C[C@H]1Cc2ccccc2O1)C(=O)c1nc2c(s1)CCOc1cc(-c3cn[nH]c3)ccc1-2Molecular Processing
Molecular formula
C25H22N4O3S
Molecular weight
458.54
Exact mass
458.1413
XLogP
4.21
TPSA
80.34
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
33
Rings
6
Aromatic rings
4
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
125.85
Supplementary Information
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