SMILES:
O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2nc(-c3ccccc3)ns2)CC1Molecular Processing
Molecular formula
C21H21N5O3S
Molecular weight
423.5
Exact mass
423.1365
XLogP
3.33
TPSA
79.82
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
115.58
Supplementary Information
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