Nombre: 3-((2-tert-butoxycarbonylamino-2-methyl-3-phenylpropoxy)methyl)-5-(1-cyanocyclopentyl)benzoic acid
SMILES:
CC(COCc1cc(C(=O)O)cc(C2(C#N)CCCC2)c1)(Cc1ccccc1)NC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C29H36N2O5
Molecular weight
492.62
Exact mass
492.2624
XLogP
5.76
TPSA
108.65
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
136.74
Supplementary Information
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