SMILES:
COc1ccccc1-c1ccc2cnc(Nc3ccc4c(c3)CC(=O)N4)nn12Molecular Processing
Molecular formula
C21H17N5O2
Molecular weight
371.4
Exact mass
371.1382
XLogP
3.64
TPSA
80.55
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
107.03
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→