SMILES:
O=C(O)c1cc(OCCCN2CCN(c3cccc4sccc34)CC2)c2ccccc2n1Molecular Processing
Molecular formula
C25H25N3O3S
Molecular weight
447.56
Exact mass
447.1617
XLogP
4.74
TPSA
65.9
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
129.29
Supplementary Information
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