Nombre: (4aS,8aR)-2-ethyl-4a-(3-methoxyphenyl)-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-one;hydrochloride
SMILES:
CCN1CCC2(CC(=O)CCC2C1)C3=CC(=CC=C3)OC.ClMolecular Processing
Molecular formula
C18H26ClNO2
Molecular weight
323.86
Exact mass
323.1652
XLogP
3.45
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.611
Molar refractivity
91
Supplementary Information
InChIKey: JMVSTTRMXSNUDM-QVNYQEOOSA-N
Sinónimos
JMVSTTRMXSNUDM-QVNYQEOOSA-N(+/-)-trans-2-ethyl-4a-(3-methoxyphenyl)-6-oxo-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline hydrochloride
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