SMILES:
CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2nc(Cl)n(C)c(=O)c21Molecular Processing
Molecular formula
C19H25ClN6O3
Molecular weight
420.9
Exact mass
420.1677
XLogP
1.86
TPSA
85.49
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
111.25
Supplementary Information
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