SMILES:
C[C@@H]1CN(c2nc3c(C(=O)N[C@@H]4CN5CCC4CC5)cccc3o2)C[C@H](C)O1Molecular Processing
Molecular formula
C21H28N4O3
Molecular weight
384.48
Exact mass
384.2161
XLogP
2.27
TPSA
70.84
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
28
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
106.65
Supplementary Information
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