Nombre: ((S)-7-tert-Butoxycarbonylamino-6-oxo-6,7-dihydro-dibenzo[b,d]azepin-5-yl)-acetic acid methyl ester
SMILES:
COC(=O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2-c2ccccc21Molecular Processing
Molecular formula
C22H24N2O5
Molecular weight
396.44
Exact mass
396.1685
XLogP
3.44
TPSA
84.94
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
108.36
Supplementary Information
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