Nombre: tert-butyl (2,7-dioxo-5,6,7,8-tetrahydro-4H-imidazo[1,5,4-fg][1,6]benzodiazocin-1(2H)-yl)acetate
SMILES:
CC(C)(C)OC(=O)CC1C(=O)C=C2NCCC(=O)Cn3cnc1c32Molecular Processing
Molecular formula
C17H21N3O4
Molecular weight
331.37
Exact mass
331.1532
XLogP
1.18
TPSA
90.29
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
86.04
Supplementary Information
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