Nombre: 2-O-tert-butyl 7-O-methyl 1-butyl-3,4-dihydro-1H-isoquinoline-2,7-dicarboxylate
SMILES:
CCCCC1C2=C(CCN1C(=O)OC(C)(C)C)C=CC(=C2)C(=O)OCMolecular Processing
Molecular formula
C20H29NO4
Molecular weight
347.46
Exact mass
347.2097
XLogP
4.5
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
96.69
Supplementary Information
InChIKey: RPIFEYOTLRUILG-UHFFFAOYSA-N
Sinónimos
SCHEMBL3353443RPIFEYOTLRUILG-UHFFFAOYSA-N2-tert-butyl 7-methyl 1-butyl-3,4-dihydroisoquinoline-2,7(1H)-dicarboxylate
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