Nombre: (±)-trans-1,2,3,4,4a,5,6,7,8,8a-decahydro-4a-(3-methoxyphenyl)-2-methyl-6-phenyl-6-isoquinolinol
SMILES:
COc1cccc([C@]23CCN(C)C[C@@H]2CCC(O)(c2ccccc2)C3)c1Molecular Processing
Molecular formula
C23H29NO2
Molecular weight
351.49
Exact mass
351.2198
XLogP
3.96
TPSA
32.7
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
104.47
Supplementary Information
Obteniendo detalles…
Participa en 2 reacciones→