Name: (S)-7-Hydroxy-6-nitro-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-isopropyl ester
SMILES:
CC(C)OC(=O)N1Cc2cc(O)c([N+](=O)[O-])cc2C[C@H]1C(=O)OMolecular Processing
Molecular formula
C14H16N2O7
Molecular weight
324.29
Exact mass
324.0958
XLogP
1.66
TPSA
130.21
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23
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
0.429
Molar refractivity
77.05
Supplementary Information
Details werden geladen…
An 7 Reaktionen beteiligt→