SMILES:
COc1cc(-c2ccc(C(=O)C(OC)c3ccc4c(c3)nnn4C)o2)cc(OC)c1BrMolecular Processing
Molecular formula
C22H20BrN3O5
Molecular weight
486.32
Exact mass
485.0586
XLogP
4.58
TPSA
88.61
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
117.54
Supplementary Information
Fetching details…
Involved in 5 reactions→