SMILES:
Cc1nc(N2CCc3ccccc3CC2)c(C#N)c(=O)n1NC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C21H25N5O3
Molecular weight
395.46
Exact mass
395.1957
XLogP
2.51
TPSA
100.25
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
109.61
Supplementary Information
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