SMILES:
Cc1cc2nc(C=O)ccc2c(Br)c1[C@@H](COC(=O)C(C)(C)C)OC(C)(C)CMolecular Processing
Molecular formula
C22H28BrNO4
Molecular weight
450.37
Exact mass
449.1202
XLogP
5.56
TPSA
65.49
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
113.56
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→