SMILES:
O=c1ccc2ccc(=O)n3c2n1CC3CN1CCC(NCc2ccc3snnc3c2)CC1Molecular Processing
Molecular formula
C23H24N6O2S
Molecular weight
448.55
Exact mass
448.1681
XLogP
1.98
TPSA
85.05
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
32
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
125.22
Supplementary Information
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