Name: 1-cyano-2-benzenesulfonyl-1,2-dihydro-5-methoxyisoquinoline
SMILES:
COc1cccc2c1C=CN(S(=O)(=O)c1ccccc1)C2C#NMolecular Processing
Molecular formula
C17H14N2O3S
Molecular weight
326.38
Exact mass
326.0725
XLogP
2.94
TPSA
70.4
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
85.85
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→