Name: (S)-7-Hydroxy-6-nitro-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-isopropyl ester 3-methyl ester
SMILES:
COC(=O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)cc2CN1C(=O)OC(C)CMolecular Processing
Molecular formula
C15H18N2O7
Molecular weight
338.32
Exact mass
338.1114
XLogP
1.75
TPSA
119.21
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
81.43
Supplementary Information
Details werden geladen…
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