Nombre: 1-(tert-butoxycarbonyl)-3-isopropylprolyl-N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)benzyl]-L-prolinamide
SMILES:
CC(C)C1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cncn1Molecular Processing
Molecular formula
C27H37ClN6O4
Molecular weight
545.08
Exact mass
544.2565
XLogP
3.81
TPSA
109.66
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
38
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.593
Molar refractivity
142.62
Supplementary Information
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