SMILES:
CN1CCN(c2ccc(Nc3nc(N)c(C(=O)c4cccc(O)c4)s3)cc2)CC1Molecular Processing
Molecular formula
C21H23N5O2S
Molecular weight
409.52
Exact mass
409.1572
XLogP
3.16
TPSA
94.72
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
117.5
Supplementary Information
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