CC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1
Nom: 4-(4-acetyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
SMILES: CC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

Molecular Processing

Molecular formula
C17H24N2O3
Molecular weight
304.39
Exact mass
304.1787
XLogP
2.95
TPSA
49.85
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
86.47

Supplementary Information

Récupération des détails…

Impliqué dans 4 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→