Name: 2-(5-carboxymethylthio-4-chloro -2-fluorophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione
SMILES:
O=C(O)CSc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1ClMolecular Processing
Molecular formula
C16H13ClFNO4S
Molecular weight
369.8
Exact mass
369.0238
XLogP
3.4
TPSA
74.68
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
87.76
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→