Nombre: (4aR,8aR)-4a-(3-methoxyphenyl)-4,5,6,7,8,8a-hexahydroisoquinoline-1,3-dione
SMILES:
COC1=CC=CC(=C1)C23CCCCC2C(=O)NC(=O)C3Molecular Processing
Molecular formula
C16H19NO3
Molecular weight
273.33
Exact mass
273.1365
XLogP
2.17
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
74.4
Supplementary Information
InChIKey: MEUQJLPINLZBFO-BBRMVZONSA-N
Sinónimos
MEUQJLPINLZBFO-BBRMVZONSA-N4a-(m-methoxyphenyl)-1,3-diketo-trans-decahydroisoquinoline
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