Nom: 1-[2-(4,4-diethylcyclohex-1-enyl)-5-methoxyphenyl]-4-(tetrahydropyran-4-ylmethyl)piperazine hydrochloride
SMILES:
CCC1(CC)CC=C(c2ccc(OC)cc2N2CCN(CC3CCOCC3)CC2)CC1.ClMolecular Processing
Molecular formula
C27H43ClN2O2
Molecular weight
463.11
Exact mass
462.3013
XLogP
6.04
TPSA
24.94
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.704
Molar refractivity
137.28
Supplementary Information
Récupération des détails…
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