Name: 1-(2-toluoylmethyl)-2-oxo-3-tert-butoxycarbonylamino-5-pivaloyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine
SMILES:
Cc1ccccc1C(=O)CN1C(=O)C(NC(=O)OC(C)(C)C)CN(C(=O)C(C)(C)C)c2ccccc21Molecular Processing
Molecular formula
C28H35N3O5
Molecular weight
493.6
Exact mass
493.2577
XLogP
4.5
TPSA
96.02
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
139.27
Supplementary Information
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