Nombre: (R)-1-tert-butylcarbonylmethyl-2-oxo-3-amino-5-cyclohexyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine
SMILES:
CC(C)(C)C(=O)CN1C(=O)[C@H](N)CN(C2CCCCC2)c2ccccc21Molecular Processing
Molecular formula
C21H31N3O2
Molecular weight
357.5
Exact mass
357.2416
XLogP
3.11
TPSA
66.64
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
105.45
Supplementary Information
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