Nombre: 6-benzoyloxy-2-(4-benzoyloxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene, hydrochloride
SMILES:
Cl.O=C(Oc1ccc(-c2sc3cc(OC(=O)c4ccccc4)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1)c1ccccc1Molecular Processing
Molecular formula
C42H36ClNO6S
Molecular weight
718.27
Exact mass
717.1952
XLogP
9.52
TPSA
82.14
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
51
Rings
7
Aromatic rings
6
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.167
Molar refractivity
202.97
Supplementary Information
Obteniendo detalles…
Participa en 4 reacciones→