Name: tert-butyl 7-(3-cyano-4-fluoro-2-methylphenyl)-hexahydro-1H-pyrazino[1,2-d][1,4]oxazepine-2(9H)-carboxylate
SMILES:
Cc1c(C2CN3CCN(C(=O)OC(C)(C)C)CC3CCO2)ccc(F)c1C#NMolecular Processing
Molecular formula
C21H28FN3O3
Molecular weight
389.47
Exact mass
389.2115
XLogP
3.39
TPSA
65.8
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
102.33
Supplementary Information
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