Name: Tert-butyl [6-(tert-butoxycarbonylamino)methyl-3-ethylbicyclo[3.2.0]hept-3-en-6-yl]acetate
SMILES:
CCC1=CC2C(C1)CC2(CNC(=O)OC(C)(C)C)CC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C21H35NO4
Molecular weight
365.51
Exact mass
365.2566
XLogP
4.61
TPSA
64.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.81
Molar refractivity
101.72
Supplementary Information
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