SMILES:
CC(C)(CNC(=O)c1nc(C#N)c2cc(Oc3ccc(F)cc3Cl)ccc2c1O)C(=O)OMolecular Processing
Molecular formula
C22H17ClFN3O5
Molecular weight
457.85
Exact mass
457.0841
XLogP
4.24
TPSA
132.54
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
113.36
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→