الاسم: 2-benzyloxycarbonylamino-2-methyl-N-[2,3,4,5-tetrahydro-2-oxo-1H-benzazepin-3(R)-yl]propanamide
SMILES:
CC(C)(NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCc2ccccc2NC1=OMolecular Processing
Molecular formula
C22H25N3O4
Molecular weight
395.46
Exact mass
395.1845
XLogP
2.76
TPSA
96.53
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
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
109.17
Supplementary Information
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